N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide

C18H19ClN2O5S — CID 1243303

IUPACN-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-12(22)13-5-4-6-14(9-13)20-18(23)11-21(2)27(24,25)15-7-8-17(26-3)16(19)10-15/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyOLAQZRKFWNXJMW-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.81
Rot. Bonds7

About N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide

N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide (PubChem CID 1243303) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide
PubChem CID1243303
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC NameN-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-12(22)13-5-4-6-14(9-13)20-18(23)11-21(2)27(24,25)15-7-8-17(26-3)16(19)10-15/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyOLAQZRKFWNXJMW-UHFFFAOYSA-N
XLogP2.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide (CID 1243303) is N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl.
What is the InChIKey of N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is OLAQZRKFWNXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-12(22)13-5-4-6-14(9-13)20-18(23)11-21(2)27(24,25)15-7-8-17(26-3)16(19)10-15/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide?
N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 410.88 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 1243303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).