3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide

C20H25N3O3S — CID 119452704

IUPAC3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NC2CCNC2)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-7-9-19(10-8-16)27(25,26)23(18-5-3-2-4-6-18)14-12-20(24)22-17-11-13-21-15-17/h2-10,17,21H,11-15H2,1H3,(H,22,24)
InChIKeyAVPFFGDBXBQMBJ-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.06
Rot. Bonds7

About 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide

3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119452704) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide
PubChem CID119452704
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC Name3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NC2CCNC2)c2ccccc2)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-7-9-19(10-8-16)27(25,26)23(18-5-3-2-4-6-18)14-12-20(24)22-17-11-13-21-15-17/h2-10,17,21H,11-15H2,1H3,(H,22,24)
InChIKeyAVPFFGDBXBQMBJ-UHFFFAOYSA-N
XLogP2.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946578
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide
CID 119451054
N-(1-amino-2-methylpropan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 119523871
2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2577985
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451053
2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119225111
(2R)-2-[3-[N-(benzenesulfonyl)-4-methylanilino]propanoylamino]propanoic acid
CID 119243865
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112760192
3-[N-(benzenesulfonyl)-4-methylanilino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508722
dimethyl-[(1R)-2-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]-1-phenylethyl]azanium
CID 2577978

Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide (CID 119452704) is 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide is Cc1ccc(S(=O)(=O)N(CCC(=O)NC2CCNC2)c2ccccc2)cc1.
What is the InChIKey of 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is AVPFFGDBXBQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-7-9-19(10-8-16)27(25,26)23(18-5-3-2-4-6-18)14-12-20(24)22-17-11-13-21-15-17/h2-10,17,21H,11-15H2,1H3,(H,22,24).
What are the key properties of 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide?
3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 387.50 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-methylphenyl)sulfonylanilino)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119452704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).