2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride

C14H22ClN3O4S — CID 119331466

IUPAC2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)(C)N)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-14(2,15)13(18)16-10-6-7-11(21-3)12(8-10)22(19,20)17-9-4-5-9;/h6-9,17H,4-5,15H2,1-3H3,(H,16,18);1H
InChIKeyYNIZACZSKNXCPJ-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.23
Rot. Bonds6

About 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119331466) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
PubChem CID119331466
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
SMILESCOc1ccc(NC(=O)C(C)(C)N)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-14(2,15)13(18)16-10-6-7-11(21-3)12(8-10)22(19,20)17-9-4-5-9;/h6-9,17H,4-5,15H2,1-3H3,(H,16,18);1H
InChIKeyYNIZACZSKNXCPJ-UHFFFAOYSA-N
XLogP1.23
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-methylpropanamide;hydrochloride
CID 119331434
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491
2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119797494
(2S)-2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119331476
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085287
2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
CID 119321312
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride (CID 119331466) is 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride is COc1ccc(NC(=O)C(C)(C)N)cc1S(=O)(=O)NC1CC1.Cl.
What is the InChIKey of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is YNIZACZSKNXCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-14(2,15)13(18)16-10-6-7-11(21-3)12(8-10)22(19,20)17-9-4-5-9;/h6-9,17H,4-5,15H2,1-3H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride?
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119331466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).