2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide

C29H30FN7O6S2 — CID 87969740

IUPAC2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(C(N)=O)c3c(N)n(CC4CC4)c(=O)n(Cc4ccccc4F)c3=O)cc2)s1
InChIInChI=1S/C29H30FN7O6S2/c1-15-27(44-28(33-15)34-16(2)38)45(42,43)35-20-11-9-18(10-12-20)22(25(32)39)23-24(31)36(13-17-7-8-17)29(41)37(26(23)40)14-19-5-3-4-6-21(19)30/h3-6,9-12,17,22,35H,7-8,13-14,31H2,1-2H3,(H2,32,39)(H,33,34,38)
InChIKeyOOILVGRCLUDEPX-UHFFFAOYSA-N
MW655.73 g/mol
LogP2.33
Rot. Bonds11

About 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide

2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide (PubChem CID 87969740) has the molecular formula C29H30FN7O6S2 and a molecular weight of 655.73 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide
PubChem CID87969740
Molecular FormulaC29H30FN7O6S2
Molecular Weight655.73 g/mol
Exact Mass655.17
IUPAC Name2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(C(N)=O)c3c(N)n(CC4CC4)c(=O)n(Cc4ccccc4F)c3=O)cc2)s1
InChIInChI=1S/C29H30FN7O6S2/c1-15-27(44-28(33-15)34-16(2)38)45(42,43)35-20-11-9-18(10-12-20)22(25(32)39)23-24(31)36(13-17-7-8-17)29(41)37(26(23)40)14-19-5-3-4-6-21(19)30/h3-6,9-12,17,22,35H,7-8,13-14,31H2,1-2H3,(H2,32,39)(H,33,34,38)
InChIKeyOOILVGRCLUDEPX-UHFFFAOYSA-N
XLogP2.33
TPSA201.27 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.73
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide?
The IUPAC name of 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide (CID 87969740) is 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(C(N)=O)c3c(N)n(CC4CC4)c(=O)n(Cc4ccccc4F)c3=O)cc2)s1.
What is the InChIKey of 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide?
The InChIKey is OOILVGRCLUDEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O6S2/c1-15-27(44-28(33-15)34-16(2)38)45(42,43)35-20-11-9-18(10-12-20)22(25(32)39)23-24(31)36(13-17-7-8-17)29(41)37(26(23)40)14-19-5-3-4-6-21(19)30/h3-6,9-12,17,22,35H,7-8,13-14,31H2,1-2H3,(H2,32,39)(H,33,34,38).
What are the key properties of 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide?
2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide has a molecular weight of 655.73 g/mol, XLogP of 2.33, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]phenyl]-2-[6-amino-1-(cyclopropylmethyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxopyrimidin-5-yl]acetamide is sourced from PubChem (CID 87969740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).