N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride

C76H67ClF8N10O10S4 — CID 159659407

IUPACN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride
SMILESCCOc1ccc(-n2c(C(CCN)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3cccs3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.O=S(=O)(Cl)c1cccs1
InChIInChI=1S/C38H33F4N5O5S2.C34H31F4N5O3.C4H3ClO2S2/c1-2-52-28-14-12-27(13-15-28)47-36(45-32-9-4-3-8-29(32)37(47)49)33(17-19-44-54(50,51)35-10-6-20-53-35)46(24-26-7-5-18-43-23-26)34(48)22-25-11-16-30(31(39)21-25)38(40,41)42;1-2-46-25-12-10-24(11-13-25)43-32(41-29-8-4-3-7-26(29)33(43)45)30(15-16-39)42(21-23-6-5-17-40-20-23)31(44)19-22-9-14-27(28(35)18-22)34(36,37)38;5-9(6,7)4-2-1-3-8-4/h3-16,18,20-21,23,33,44H,2,17,19,22,24H2,1H3;3-14,17-18,20,30H,2,15-16,19,21,39H2,1H3;1-3H
InChIKeyMSPLAPBXMNTGNF-UHFFFAOYSA-N
MW1596.14 g/mol
LogP14.75
Rot. Bonds26

About N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride

N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride (PubChem CID 159659407) has the molecular formula C76H67ClF8N10O10S4 and a molecular weight of 1596.14 g/mol. Its IUPAC name is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride.

Molecular Properties

Compound NameN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride
PubChem CID159659407
Molecular FormulaC76H67ClF8N10O10S4
Molecular Weight1596.14 g/mol
Exact Mass1594.35
IUPAC NameN-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride
SMILESCCOc1ccc(-n2c(C(CCN)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3cccs3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.O=S(=O)(Cl)c1cccs1
InChIInChI=1S/C38H33F4N5O5S2.C34H31F4N5O3.C4H3ClO2S2/c1-2-52-28-14-12-27(13-15-28)47-36(45-32-9-4-3-8-29(32)37(47)49)33(17-19-44-54(50,51)35-10-6-20-53-35)46(24-26-7-5-18-43-23-26)34(48)22-25-11-16-30(31(39)21-25)38(40,41)42;1-2-46-25-12-10-24(11-13-25)43-32(41-29-8-4-3-7-26(29)33(43)45)30(15-16-39)42(21-23-6-5-17-40-20-23)31(44)19-22-9-14-27(28(35)18-22)34(36,37)38;5-9(6,7)4-2-1-3-8-4/h3-16,18,20-21,23,33,44H,2,17,19,22,24H2,1H3;3-14,17-18,20,30H,2,15-16,19,21,39H2,1H3;1-3H
InChIKeyMSPLAPBXMNTGNF-UHFFFAOYSA-N
XLogP14.75
TPSA260.97 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001596.14
LogP ≤ 514.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride?
The IUPAC name of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride (CID 159659407) is N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride.
What is the SMILES notation for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride?
The canonical SMILES for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride is CCOc1ccc(-n2c(C(CCN)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.CCOc1ccc(-n2c(C(CCNS(=O)(=O)c3cccs3)N(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.O=S(=O)(Cl)c1cccs1.
What is the InChIKey of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride?
The InChIKey is MSPLAPBXMNTGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33F4N5O5S2.C34H31F4N5O3.C4H3ClO2S2/c1-2-52-28-14-12-27(13-15-28)47-36(45-32-9-4-3-8-29(32)37(47)49)33(17-19-44-54(50,51)35-10-6-20-53-35)46(24-26-7-5-18-43-23-26)34(48)22-25-11-16-30(31(39)21-25)38(40,41)42;1-2-46-25-12-10-24(11-13-25)43-32(41-29-8-4-3-7-26(29)33(43)45)30(15-16-39)42(21-23-6-5-17-40-20-23)31(44)19-22-9-14-27(28(35)18-22)34(36,37)38;5-9(6,7)4-2-1-3-8-4/h3-16,18,20-21,23,33,44H,2,17,19,22,24H2,1H3;3-14,17-18,20,30H,2,15-16,19,21,39H2,1H3;1-3H.
What are the key properties of N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride?
N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride has a molecular weight of 1596.14 g/mol, XLogP of 14.75, 26 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-(thiophen-2-ylsulfonylamino)propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide;thiophene-2-sulfonyl chloride is sourced from PubChem (CID 159659407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).