N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C19H21N3O4S — CID 112507310

IUPACN-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-18(21-16-6-2-1-3-7-16)14-20-19(24)15-8-10-17(11-9-15)27(25,26)22-12-4-5-13-22/h1-3,6-11H,4-5,12-14H2,(H,20,24)(H,21,23)
InChIKeyZVOKNVMHAOCMTA-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.84
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 112507310) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID112507310
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1
InChIInChI=1S/C19H21N3O4S/c23-18(21-16-6-2-1-3-7-16)14-20-19(24)15-8-10-17(11-9-15)27(25,26)22-12-4-5-13-22/h1-3,6-11H,4-5,12-14H2,(H,20,24)(H,21,23)
InChIKeyZVOKNVMHAOCMTA-UHFFFAOYSA-N
XLogP1.84
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide 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

N-(2-anilino-2-oxoethyl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55837158
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6034339
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 26893607
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24542872
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
4-[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoylamino]-N-ethylbenzamide
CID 55802239
2-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3160801

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 112507310) is N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZVOKNVMHAOCMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-18(21-16-6-2-1-3-7-16)14-20-19(24)15-8-10-17(11-9-15)27(25,26)22-12-4-5-13-22/h1-3,6-11H,4-5,12-14H2,(H,20,24)(H,21,23).
What are the key properties of N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 387.46 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 112507310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).