N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide

C73H77N9O9S2 — CID 87954750

IUPACN-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1.O=C(NCC(c1ccccc1)c1ccccc1)C1CN(C(=O)CCN2CCCCC2)CCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C37H36N4O5S.C36H41N5O4S/c1-46-31-19-17-27(18-20-31)24-35(42)40-22-23-41(47(44,45)34-16-8-14-30-15-9-21-38-36(30)34)33(26-40)37(43)39-25-32(28-10-4-2-5-11-28)29-12-6-3-7-13-29;42-34(19-23-39-21-8-3-9-22-39)40-24-25-41(46(44,45)33-18-10-16-30-17-11-20-37-35(30)33)32(27-40)36(43)38-26-31(28-12-4-1-5-13-28)29-14-6-2-7-15-29/h2-21,32-33H,22-26H2,1H3,(H,39,43);1-2,4-7,10-18,20,31-32H,3,8-9,19,21-27H2,(H,38,43)
InChIKeyRYSSRTZXIVACRV-UHFFFAOYSA-N
MW1288.61 g/mol
LogP8.90
Rot. Bonds20

About N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide

N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide (PubChem CID 87954750) has the molecular formula C73H77N9O9S2 and a molecular weight of 1288.61 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide
PubChem CID87954750
Molecular FormulaC73H77N9O9S2
Molecular Weight1288.61 g/mol
Exact Mass1287.53
IUPAC NameN-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1.O=C(NCC(c1ccccc1)c1ccccc1)C1CN(C(=O)CCN2CCCCC2)CCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C37H36N4O5S.C36H41N5O4S/c1-46-31-19-17-27(18-20-31)24-35(42)40-22-23-41(47(44,45)34-16-8-14-30-15-9-21-38-36(30)34)33(26-40)37(43)39-25-32(28-10-4-2-5-11-28)29-12-6-3-7-13-29;42-34(19-23-39-21-8-3-9-22-39)40-24-25-41(46(44,45)33-18-10-16-30-17-11-20-37-35(30)33)32(27-40)36(43)38-26-31(28-12-4-1-5-13-28)29-14-6-2-7-15-29/h2-21,32-33H,22-26H2,1H3,(H,39,43);1-2,4-7,10-18,20,31-32H,3,8-9,19,21-27H2,(H,38,43)
InChIKeyRYSSRTZXIVACRV-UHFFFAOYSA-N
XLogP8.90
TPSA211.83 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.61
LogP ≤ 58.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide (CID 87954750) is N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide is COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NCC(c3ccccc3)c3ccccc3)C2)cc1.O=C(NCC(c1ccccc1)c1ccccc1)C1CN(C(=O)CCN2CCCCC2)CCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
The InChIKey is RYSSRTZXIVACRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N4O5S.C36H41N5O4S/c1-46-31-19-17-27(18-20-31)24-35(42)40-22-23-41(47(44,45)34-16-8-14-30-15-9-21-38-36(30)34)33(26-40)37(43)39-25-32(28-10-4-2-5-11-28)29-12-6-3-7-13-29;42-34(19-23-39-21-8-3-9-22-39)40-24-25-41(46(44,45)33-18-10-16-30-17-11-20-37-35(30)33)32(27-40)36(43)38-26-31(28-12-4-1-5-13-28)29-14-6-2-7-15-29/h2-21,32-33H,22-26H2,1H3,(H,39,43);1-2,4-7,10-18,20,31-32H,3,8-9,19,21-27H2,(H,38,43).
What are the key properties of N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide?
N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide has a molecular weight of 1288.61 g/mol, XLogP of 8.90, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4-[2-(4-methoxyphenyl)acetyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide;N-(2,2-diphenylethyl)-4-(3-piperidin-1-ylpropanoyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 87954750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).