N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide

C13H18N2O4S — CID 134019095

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2C)cc1NS(C)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-8-6-10(8)13(16)14-9-4-5-12(19-2)11(7-9)15-20(3,17)18/h4-5,7-8,10,15H,6H2,1-3H3,(H,14,16)
InChIKeyAFWVJZIERIGQFF-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.66
Rot. Bonds5

About N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 134019095) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID134019095
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2C)cc1NS(C)(=O)=O
InChIInChI=1S/C13H18N2O4S/c1-8-6-10(8)13(16)14-9-4-5-12(19-2)11(7-9)15-20(3,17)18/h4-5,7-8,10,15H,6H2,1-3H3,(H,14,16)
InChIKeyAFWVJZIERIGQFF-UHFFFAOYSA-N
XLogP1.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,4S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98785794
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
CID 154839545
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylfuran-3-carboxamide
CID 134019111
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974815
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635
N-(2-methoxy-5-sulfamoylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47154229
cis-(1S,2R)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465638
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methylcyclopropane-1-carboxamide
CID 51157569
cis-(1S,2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 7028753
3-(cyclopropanecarbonylamino)-N-[3-(methanesulfonamido)-4-methoxyphenyl]naphthalene-2-carboxamide
CID 24673279
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide (CID 134019095) is N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(NC(=O)C2CC2C)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is AFWVJZIERIGQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8-6-10(8)13(16)14-9-4-5-12(19-2)11(7-9)15-20(3,17)18/h4-5,7-8,10,15H,6H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 134019095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).