N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide

C18H20ClN3O5S — CID 17481718

IUPACN-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-12(23)21-14-5-8-17(27-2)16(11-14)22-18(24)9-10-20-28(25,26)15-6-3-13(19)4-7-15/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCSHTVGMTOURERI-UHFFFAOYSA-N
MW425.89 g/mol
LogP2.61
Rot. Bonds8

About N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide

N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide (PubChem CID 17481718) has the molecular formula C18H20ClN3O5S and a molecular weight of 425.89 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
PubChem CID17481718
Molecular FormulaC18H20ClN3O5S
Molecular Weight425.89 g/mol
Exact Mass425.08
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O5S/c1-12(23)21-14-5-8-17(27-2)16(11-14)22-18(24)9-10-20-28(25,26)15-6-3-13(19)4-7-15/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCSHTVGMTOURERI-UHFFFAOYSA-N
XLogP2.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24666799
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 17225707
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 17225629
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26582388
N-(3-acetamido-4-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 35348603
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845943
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2602596
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide (CID 17481718) is N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide is COc1ccc(NC(C)=O)cc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
The InChIKey is CSHTVGMTOURERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5S/c1-12(23)21-14-5-8-17(27-2)16(11-14)22-18(24)9-10-20-28(25,26)15-6-3-13(19)4-7-15/h3-8,11,20H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide?
N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide has a molecular weight of 425.89 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17481718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).