N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide

C15H25N3O3S — CID 94812038

IUPACN-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC(C)[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-12(2)14(17-13-8-6-5-7-9-13)10-16-15(19)11-18(3)22(4,20)21/h5-9,12,14,17H,10-11H2,1-4H3,(H,16,19)/t14-/m1/s1
InChIKeySTIQQPXPMXYSRW-CQSZACIVSA-N
MW327.45 g/mol
LogP1.13
Rot. Bonds8

About N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 94812038) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID94812038
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC(C)[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ccccc1
InChIInChI=1S/C15H25N3O3S/c1-12(2)14(17-13-8-6-5-7-9-13)10-16-15(19)11-18(3)22(4,20)21/h5-9,12,14,17H,10-11H2,1-4H3,(H,16,19)/t14-/m1/s1
InChIKeySTIQQPXPMXYSRW-CQSZACIVSA-N
XLogP1.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]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-benzyl-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]propanoic acid
CID 119233408
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 25354917
N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 55535044
N-(2-anilino-3-methylbutyl)furan-3-carboxamide
CID 47142406
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 90623418
methyl 3-anilino-4-methylpentanoate
CID 86003942
3-methyl-2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119169796
2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide
CID 126803798
1-[(2R)-2-anilino-3-methylbutyl]-3-(4-ethoxybutyl)urea
CID 52500656
1-(2-anilino-3-methylbutyl)-3-(pyridin-3-ylmethyl)urea
CID 86998985

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 94812038) is N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide is CC(C)[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ccccc1.
What is the InChIKey of N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is STIQQPXPMXYSRW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12(2)14(17-13-8-6-5-7-9-13)10-16-15(19)11-18(3)22(4,20)21/h5-9,12,14,17H,10-11H2,1-4H3,(H,16,19)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 327.45 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-anilino-3-methylbutyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 94812038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).