N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide

C20H25N3O3S — CID 9083684

IUPACN-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESC[C@H](NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-16(17-7-3-2-4-8-17)22-20(24)15-21-18-9-11-19(12-10-18)27(25,26)23-13-5-6-14-23/h2-4,7-12,16,21H,5-6,13-15H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyVPBGQMSFRYZATD-INIZCTEOSA-N
MW387.51 g/mol
LogP2.76
Rot. Bonds7

About N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide

N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083684) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
PubChem CID9083684
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESC[C@H](NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-16(17-7-3-2-4-8-17)22-20(24)15-21-18-9-11-19(12-10-18)27(25,26)23-13-5-6-14-23/h2-4,7-12,16,21H,5-6,13-15H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyVPBGQMSFRYZATD-INIZCTEOSA-N
XLogP2.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide 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

2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1S)-1-phenylethyl]acetamide
CID 9101152
N-(1-phenylethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 17468734
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 4265930
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
1-(1-phenylethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42928204
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
3-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(1-phenylethyl)propanamide
CID 42930155
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 39882351
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
CID 735445
(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2094762

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide (CID 9083684) is N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide is C[C@H](NC(=O)CNc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
The InChIKey is VPBGQMSFRYZATD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16(17-7-3-2-4-8-17)22-20(24)15-21-18-9-11-19(12-10-18)27(25,26)23-13-5-6-14-23/h2-4,7-12,16,21H,5-6,13-15H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide?
N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).