2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

C21H28N2O3S — CID 28567894

IUPAC2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-16(2)14-19(18-11-6-5-7-12-18)22-21(24)15-23(27(4,25)26)20-13-9-8-10-17(20)3/h5-13,16,19H,14-15H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyAOFAMCSMWMVUAD-IBGZPJMESA-N
MW388.53 g/mol
LogP3.66
Rot. Bonds8

About 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide

2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 28567894) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
PubChem CID28567894
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
SMILESCc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-16(2)14-19(18-11-6-5-7-12-18)22-21(24)15-23(27(4,25)26)20-13-9-8-10-17(20)3/h5-13,16,19H,14-15H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyAOFAMCSMWMVUAD-IBGZPJMESA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanoate
CID 46637612
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 38018458
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 28572798
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55430541
N-[(1S)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 92674290
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 28632009
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28632010
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43905915
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 132947517
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 94027893
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 43916160

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide (CID 28567894) is 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is Cc1ccccc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is AOFAMCSMWMVUAD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-16(2)14-19(18-11-6-5-7-12-18)22-21(24)15-23(27(4,25)26)20-13-9-8-10-17(20)3/h5-13,16,19H,14-15H2,1-4H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide?
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 28567894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).