N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide

C19H22ClN3O3S — CID 9083596

IUPACN-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22ClN3O3S/c1-14-17(20)5-4-6-18(14)22-19(24)13-21-15-7-9-16(10-8-15)27(25,26)23-11-2-3-12-23/h4-10,21H,2-3,11-13H2,1H3,(H,22,24)
InChIKeyDKPMKBVWXXPXEZ-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.48
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083596) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
PubChem CID9083596
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1c(Cl)cccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22ClN3O3S/c1-14-17(20)5-4-6-18(14)22-19(24)13-21-15-7-9-16(10-8-15)27(25,26)23-11-2-3-12-23/h4-10,21H,2-3,11-13H2,1H3,(H,22,24)
InChIKeyDKPMKBVWXXPXEZ-UHFFFAOYSA-N
XLogP3.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 42069796
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4806473
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide (CID 9083596) is N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide is Cc1c(Cl)cccc1NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
The InChIKey is DKPMKBVWXXPXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-14-17(20)5-4-6-18(14)22-19(24)13-21-15-7-9-16(10-8-15)27(25,26)23-11-2-3-12-23/h4-10,21H,2-3,11-13H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide has a molecular weight of 407.92 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).