2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide

C23H30N2O3S — CID 69271657

IUPAC2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(C=CS(=O)(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)17-22(24)23(26)25-20(14-13-19-9-5-3-6-10-19)15-16-29(27,28)21-11-7-4-8-12-21/h3-12,15-16,18,20,22H,13-14,17,24H2,1-2H3,(H,25,26)
InChIKeyAETKHYACCMTMMZ-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.46
Rot. Bonds10

About 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide

2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide (PubChem CID 69271657) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide
PubChem CID69271657
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)NC(C=CS(=O)(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H30N2O3S/c1-18(2)17-22(24)23(26)25-20(14-13-19-9-5-3-6-10-19)15-16-29(27,28)21-11-7-4-8-12-21/h3-12,15-16,18,20,22H,13-14,17,24H2,1-2H3,(H,25,26)
InChIKeyAETKHYACCMTMMZ-UHFFFAOYSA-N
XLogP3.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide 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-[1-[[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 3505067
N-[(2S)-1-[[(3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 54528051
(2S)-2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-phenylbutanoic acid
CID 104983349
(2S)-2-acetamido-N-[(2S)-1-[[(3S)-1-(benzenesulfonyl)-5-methylsulfanylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 70066378
N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-hydroxy-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 67359022
N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide
CID 70285202
2-(naphthalen-2-ylamino)-N-[(E,3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]propanamide
CID 70083512
N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-5-hydroxy-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
CID 127030542
tert-butyl N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxopropan-2-yl]-N-naphthalen-2-ylcarbamate
CID 70063531
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
2-[(2-amino-4-methylpentanoyl)amino]-3-phenylpropanoic acid;urea
CID 174908772
benzyl N-[(E)-6-oxo-1-phenylhept-4-en-3-yl]carbamate
CID 102041272

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide (CID 69271657) is 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide is CC(C)CC(N)C(=O)NC(C=CS(=O)(=O)c1ccccc1)CCc1ccccc1.
What is the InChIKey of 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide?
The InChIKey is AETKHYACCMTMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-18(2)17-22(24)23(26)25-20(14-13-19-9-5-3-6-10-19)15-16-29(27,28)21-11-7-4-8-12-21/h3-12,15-16,18,20,22H,13-14,17,24H2,1-2H3,(H,25,26).
What are the key properties of 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide?
2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide has a molecular weight of 414.57 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide is sourced from PubChem (CID 69271657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).