(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide

C14H22N2O3S — CID 40563910

IUPAC(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-6-8-12(9-7-10)20(18,19)16-11(2)13(17)15-14(3,4)5/h6-9,11,16H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyVAIUAECUYVOYBP-NSHDSACASA-N
MW298.41 g/mol
LogP1.58
Rot. Bonds4

About (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide

(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 40563910) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID40563910
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-6-8-12(9-7-10)20(18,19)16-11(2)13(17)15-14(3,4)5/h6-9,11,16H,1-5H3,(H,15,17)/t11-/m0/s1
InChIKeyVAIUAECUYVOYBP-NSHDSACASA-N
XLogP1.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
N-(4-acetamidophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 5125131
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid;hydrate
CID 131749441
(2S)-N-(2,2-diphenylpropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 24517481
N-(3-hydroxypropyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 4545843
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 3580359
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 40563910) is (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is VAIUAECUYVOYBP-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-8-12(9-7-10)20(18,19)16-11(2)13(17)15-14(3,4)5/h6-9,11,16H,1-5H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide?
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 40563910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).