N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide

C18H30N2O3S — CID 51937630

IUPACN-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC[C@@H](C)c1ccc([C@@H](NC(=O)CN(C)S(C)(=O)=O)C(C)C)cc1
InChIInChI=1S/C18H30N2O3S/c1-7-14(4)15-8-10-16(11-9-15)18(13(2)3)19-17(21)12-20(5)24(6,22)23/h8-11,13-14,18H,7,12H2,1-6H3,(H,19,21)/t14-,18+/m1/s1
InChIKeySIQJFDDFBZUCPX-KDOFPFPSSA-N
MW354.52 g/mol
LogP2.90
Rot. Bonds8

About N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 51937630) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID51937630
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC[C@@H](C)c1ccc([C@@H](NC(=O)CN(C)S(C)(=O)=O)C(C)C)cc1
InChIInChI=1S/C18H30N2O3S/c1-7-14(4)15-8-10-16(11-9-15)18(13(2)3)19-17(21)12-20(5)24(6,22)23/h8-11,13-14,18H,7,12H2,1-6H3,(H,19,21)/t14-,18+/m1/s1
InChIKeySIQJFDDFBZUCPX-KDOFPFPSSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464739
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120587324
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587323
2-(4-bromophenyl)-2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetic acid
CID 119197817
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8834502
3-methyl-2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119169796
2-[(4-butan-2-ylphenyl)sulfonyl-ethylamino]-N-propan-2-ylacetamide
CID 42912907
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8834658
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 51937630) is N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide is CC[C@@H](C)c1ccc([C@@H](NC(=O)CN(C)S(C)(=O)=O)C(C)C)cc1.
What is the InChIKey of N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is SIQJFDDFBZUCPX-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-7-14(4)15-8-10-16(11-9-15)18(13(2)3)19-17(21)12-20(5)24(6,22)23/h8-11,13-14,18H,7,12H2,1-6H3,(H,19,21)/t14-,18+/m1/s1.
What are the key properties of N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 354.52 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 51937630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).