2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C19H23N3O4S — CID 9080500

IUPAC2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-18-7-3-2-6-17(18)20-14-19(23)21-15-8-10-16(11-9-15)27(24,25)22-12-4-5-13-22/h2-3,6-11,20H,4-5,12-14H2,1H3,(H,21,23)
InChIKeyWTMBOJMIKIBHRZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.53
Rot. Bonds7

About 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9080500) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID9080500
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H23N3O4S/c1-26-18-7-3-2-6-17(18)20-14-19(23)21-15-8-10-16(11-9-15)27(24,25)22-12-4-5-13-22/h2-3,6-11,20H,4-5,12-14H2,1H3,(H,21,23)
InChIKeyWTMBOJMIKIBHRZ-UHFFFAOYSA-N
XLogP2.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
1-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 19680447
2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 9100423
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1163326

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 9080500) is 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is COc1ccccc1NCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WTMBOJMIKIBHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-7-3-2-6-17(18)20-14-19(23)21-15-8-10-16(11-9-15)27(24,25)22-12-4-5-13-22/h2-3,6-11,20H,4-5,12-14H2,1H3,(H,21,23).
What are the key properties of 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9080500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).