(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide

C16H26N4O5S — CID 37329441

IUPAC(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C16H26N4O5S/c1-10(14(21)18-15(22)19-16(2,3)4)17-11-7-8-13(25-5)12(9-11)20-26(6,23)24/h7-10,17,20H,1-6H3,(H2,18,19,21,22)/t10-/m0/s1
InChIKeyIBNUZQROURWUBI-JTQLQIEISA-N
MW386.47 g/mol
LogP1.49
Rot. Bonds6

About (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide

(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide (PubChem CID 37329441) has the molecular formula C16H26N4O5S and a molecular weight of 386.47 g/mol. Its IUPAC name is (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
PubChem CID37329441
Molecular FormulaC16H26N4O5S
Molecular Weight386.47 g/mol
Exact Mass386.16
IUPAC Name(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide
SMILESCOc1ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1NS(C)(=O)=O
InChIInChI=1S/C16H26N4O5S/c1-10(14(21)18-15(22)19-16(2,3)4)17-11-7-8-13(25-5)12(9-11)20-26(6,23)24/h7-10,17,20H,1-6H3,(H2,18,19,21,22)/t10-/m0/s1
InChIKeyIBNUZQROURWUBI-JTQLQIEISA-N
XLogP1.49
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725386
(2S)-2-[3-(methanesulfonamido)-4-methoxyanilino]-N-(2-methylpropyl)propanamide
CID 51725387
N-(tert-butylcarbamoyl)-2-(3,4-dimethylanilino)propanamide
CID 51242354
N-(tert-butylcarbamoyl)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]propanamide
CID 18268062
N-(tert-butylcarbamoyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 46666987
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
(2S)-N-(tert-butylcarbamoyl)-2-(2,4-dimethoxyanilino)propanamide
CID 35969817
(2S)-N-tert-butyl-2-[4-(methanesulfonamido)anilino]propanamide
CID 31268880
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403
(2S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 37065929

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide?
The IUPAC name of (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide (CID 37329441) is (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide.
What is the SMILES notation for (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide?
The canonical SMILES for (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide is COc1ccc(N[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc1NS(C)(=O)=O.
What is the InChIKey of (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide?
The InChIKey is IBNUZQROURWUBI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H26N4O5S/c1-10(14(21)18-15(22)19-16(2,3)4)17-11-7-8-13(25-5)12(9-11)20-26(6,23)24/h7-10,17,20H,1-6H3,(H2,18,19,21,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide?
(2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide has a molecular weight of 386.47 g/mol, XLogP of 1.49, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(tert-butylcarbamoyl)-2-[3-(methanesulfonamido)-4-methoxyanilino]propanamide is sourced from PubChem (CID 37329441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).