(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide

C14H23N3O3S — CID 31268880

IUPAC(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
SMILESC[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-10(13(18)16-14(2,3)4)15-11-6-8-12(9-7-11)17-21(5,19)20/h6-10,15,17H,1-5H3,(H,16,18)/t10-/m0/s1
InChIKeyBBIGPPKVYYRQLL-JTQLQIEISA-N
MW313.42 g/mol
LogP1.77
Rot. Bonds5

About (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide

(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide (PubChem CID 31268880) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
PubChem CID31268880
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
SMILESC[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H23N3O3S/c1-10(13(18)16-14(2,3)4)15-11-6-8-12(9-7-11)17-21(5,19)20/h6-10,15,17H,1-5H3,(H,16,18)/t10-/m0/s1
InChIKeyBBIGPPKVYYRQLL-JTQLQIEISA-N
XLogP1.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-acetamidoanilino)-N-tert-butylpropanamide
CID 35994885
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
(2R)-2-[4-(methanesulfonamido)anilino]-N-(methylcarbamoyl)propanamide
CID 31268630
N-tert-butyl-2-[4-(trifluoromethyl)anilino]propanamide
CID 43087018
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
N-(5-chloro-2-methylphenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 51333962
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 46512777
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
N-tert-butyl-2-[4-[(2-methoxyacetyl)amino]anilino]propanamide
CID 42950126

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide (CID 31268880) is (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide is C[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide?
The InChIKey is BBIGPPKVYYRQLL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(13(18)16-14(2,3)4)15-11-6-8-12(9-7-11)17-21(5,19)20/h6-10,15,17H,1-5H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide?
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide has a molecular weight of 313.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide is sourced from PubChem (CID 31268880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).