N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide

C20H19ClN4O4S2 — CID 46667855

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H19ClN4O4S2/c1-13(26)23-16-7-5-14(6-8-16)18-12-30-20(24-18)25-19(27)9-10-22-31(28,29)17-4-2-3-15(21)11-17/h2-8,11-12,22H,9-10H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyACDMSKAUPVWQEX-UHFFFAOYSA-N
MW478.98 g/mol
LogP3.73
Rot. Bonds8

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide (PubChem CID 46667855) has the molecular formula C20H19ClN4O4S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
PubChem CID46667855
Molecular FormulaC20H19ClN4O4S2
Molecular Weight478.98 g/mol
Exact Mass478.05
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H19ClN4O4S2/c1-13(26)23-16-7-5-14(6-8-16)18-12-30-20(24-18)25-19(27)9-10-22-31(28,29)17-4-2-3-15(21)11-17/h2-8,11-12,22H,9-10H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyACDMSKAUPVWQEX-UHFFFAOYSA-N
XLogP3.73
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 30186906
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CID 8504634
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
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N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 36539724
3-[(3,4-difluorophenyl)sulfonylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 46667735
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide (CID 46667855) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is ACDMSKAUPVWQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S2/c1-13(26)23-16-7-5-14(6-8-16)18-12-30-20(24-18)25-19(27)9-10-22-31(28,29)17-4-2-3-15(21)11-17/h2-8,11-12,22H,9-10H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 478.98 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-[(3-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 46667855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).