N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

C16H24N2O4S — CID 119613885

IUPACN-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-11(16(19)18-15(9-17)12-3-4-12)10-23(20,21)14-7-5-13(22-2)6-8-14/h5-8,11-12,15H,3-4,9-10,17H2,1-2H3,(H,18,19)
InChIKeyNMGYKMNSEMHIMC-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.96
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (PubChem CID 119613885) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
PubChem CID119613885
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)CC(C)C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-11(16(19)18-15(9-17)12-3-4-12)10-23(20,21)14-7-5-13(22-2)6-8-14/h5-8,11-12,15H,3-4,9-10,17H2,1-2H3,(H,18,19)
InChIKeyNMGYKMNSEMHIMC-UHFFFAOYSA-N
XLogP0.96
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[3-(4-methoxyphenyl)sulfonyl-2-methylpropanoyl]amino]propanoic acid
CID 119370188
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
N-(2-amino-1-cyclopropylethyl)-2-methoxypropanamide
CID 115737526
3-(4-methoxyphenyl)sulfonyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510894
N-(2-amino-1-cyclopropylethyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119615423
N-(2-amino-1-cyclopropylethyl)-2-(4-tert-butylphenoxy)propanamide
CID 119613985
N-(2-amino-1-cyclopropylethyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 119612678
N-(2-amino-1-cyclopropylethyl)-2-methyl-4-phenoxybutanamide;hydrochloride
CID 119617229
N-(2-amino-1-cyclopropylethyl)-2-(3,4-dichlorophenoxy)propanamide;hydrochloride
CID 119613645
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 119618224
2-[(4-acetamidophenyl)sulfonylamino]-N-(2-amino-1-cyclopropylethyl)propanamide;hydrochloride
CID 119616338
N-(5-amino-2-methylphenyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 120569069

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (CID 119613885) is N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is COc1ccc(S(=O)(=O)CC(C)C(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is NMGYKMNSEMHIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11(16(19)18-15(9-17)12-3-4-12)10-23(20,21)14-7-5-13(22-2)6-8-14/h5-8,11-12,15H,3-4,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 340.45 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 119613885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).