N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide

C21H26ClN3O3S — CID 56538260

IUPACN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26ClN3O3S/c1-3-24(2)20(16-9-5-4-6-10-16)21(26)23-17-11-12-18(22)19(15-17)29(27,28)25-13-7-8-14-25/h4-6,9-12,15,20H,3,7-8,13-14H2,1-2H3,(H,23,26)
InChIKeyGFOFJCAEHWKNBQ-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.76
Rot. Bonds7

About N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide (PubChem CID 56538260) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
PubChem CID56538260
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
SMILESCCN(C)C(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C21H26ClN3O3S/c1-3-24(2)20(16-9-5-4-6-10-16)21(26)23-17-11-12-18(22)19(15-17)29(27,28)25-13-7-8-14-25/h4-6,9-12,15,20H,3,7-8,13-14H2,1-2H3,(H,23,26)
InChIKeyGFOFJCAEHWKNBQ-UHFFFAOYSA-N
XLogP3.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55942709
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 112789663
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 25440580
2-[ethyl(methyl)amino]-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-phenylacetamide
CID 56583095
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 92685233
[(2S)-1-anilino-1-oxopropan-2-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513774
[(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2416003
(2R)-2-[ethyl(methyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 95325616
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenoxypropanamide
CID 43009352

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide?
The IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide (CID 56538260) is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide?
The canonical SMILES for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide is CCN(C)C(C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide?
The InChIKey is GFOFJCAEHWKNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-3-24(2)20(16-9-5-4-6-10-16)21(26)23-17-11-12-18(22)19(15-17)29(27,28)25-13-7-8-14-25/h4-6,9-12,15,20H,3,7-8,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide?
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide has a molecular weight of 435.98 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-[ethyl(methyl)amino]-2-phenylacetamide is sourced from PubChem (CID 56538260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).