2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

C19H29N3O4S — CID 25349723

IUPAC2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C19H29N3O4S/c1-13-5-3-4-6-16(13)21-19(23)12-20-17-11-15(9-10-18(17)26-2)27(24,25)22-14-7-8-14/h9-11,13-14,16,20,22H,3-8,12H2,1-2H3,(H,21,23)/t13-,16+/m1/s1
InChIKeyYLQBRVHFUHFCNW-CJNGLKHVSA-N
MW395.53 g/mol
LogP2.24
Rot. Bonds8

About 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide

2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide (PubChem CID 25349723) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
PubChem CID25349723
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)N[C@H]1CCCC[C@H]1C
InChIInChI=1S/C19H29N3O4S/c1-13-5-3-4-6-16(13)21-19(23)12-20-17-11-15(9-10-18(17)26-2)27(24,25)22-14-7-8-14/h9-11,13-14,16,20,22H,3-8,12H2,1-2H3,(H,21,23)/t13-,16+/m1/s1
InChIKeyYLQBRVHFUHFCNW-CJNGLKHVSA-N
XLogP2.24
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417807
N-(1-cyanocycloheptyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 39998729
methyl 2-[[2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetyl]amino]benzoate
CID 37174802
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(methylamino)acetamide
CID 119701916
N-[4-[(2R)-butan-2-yl]phenyl]-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 25409070
N-(benzylcarbamoyl)-2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]acetamide
CID 31417859
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-(3-phenylpropyl)acetamide
CID 55565298
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 37174879
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
3-[(4-methoxy-3-nitrophenyl)sulfonylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9265727

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide (CID 25349723) is 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NCC(=O)N[C@H]1CCCC[C@H]1C.
What is the InChIKey of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is YLQBRVHFUHFCNW-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-13-5-3-4-6-16(13)21-19(23)12-20-17-11-15(9-10-18(17)26-2)27(24,25)22-14-7-8-14/h9-11,13-14,16,20,22H,3-8,12H2,1-2H3,(H,21,23)/t13-,16+/m1/s1.
What are the key properties of 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide?
2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylsulfamoyl)-2-methoxyanilino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 25349723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).