2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid

C14H18N2O5S — CID 120974815

IUPAC2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCC2C(=O)O)cc1NS(C)(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-8-3-4-9(7-12(8)16-22(2,20)21)15-13(17)10-5-6-11(10)14(18)19/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyXEQKCZJCRKXYAG-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.42
Rot. Bonds5

About 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974815) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974815
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCC2C(=O)O)cc1NS(C)(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-8-3-4-9(7-12(8)16-22(2,20)21)15-13(17)10-5-6-11(10)14(18)19/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyXEQKCZJCRKXYAG-UHFFFAOYSA-N
XLogP1.42
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974718
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249
2-[[4-fluoro-2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977385
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 134019095
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
2-[[3-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940520
6-[(3-acetamido-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 56814764
2-[[2-chloro-5-(methanesulfonamido)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60942174
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
4-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]benzoic acid
CID 146132998
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120974815) is 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid is Cc1ccc(NC(=O)C2CCC2C(=O)O)cc1NS(C)(=O)=O.
What is the InChIKey of 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is XEQKCZJCRKXYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-8-3-4-9(7-12(8)16-22(2,20)21)15-13(17)10-5-6-11(10)14(18)19/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methanesulfonamido)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).