N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide

C15H16N2O3S2 — CID 71874465

IUPACN-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide
SMILESCc1c(NC(=O)c2ccsc2)cccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C15H16N2O3S2/c1-10-13(16-15(18)11-7-8-21-9-11)3-2-4-14(10)22(19,20)17-12-5-6-12/h2-4,7-9,12,17H,5-6H2,1H3,(H,16,18)
InChIKeyXBBLZSMBIYYKAF-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.75
Rot. Bonds5

About N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide

N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide (PubChem CID 71874465) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide
PubChem CID71874465
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide
SMILESCc1c(NC(=O)c2ccsc2)cccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C15H16N2O3S2/c1-10-13(16-15(18)11-7-8-21-9-11)3-2-4-14(10)22(19,20)17-12-5-6-12/h2-4,7-9,12,17H,5-6H2,1H3,(H,16,18)
InChIKeyXBBLZSMBIYYKAF-UHFFFAOYSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]-2-methyl-3-methylsulfanylpropanamide
CID 129370727
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924
3-(cyclopropylsulfamoyl)-N-(2,3-dimethylphenyl)benzamide
CID 30856229
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
N-cyclopropyl-2-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 62840863
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
N-[5-(cyclohexylsulfamoyl)naphthalen-1-yl]benzamide
CID 59718017
N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 119387878
2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1356115
2-[2-(cyclopropylsulfamoyl)anilino]propanoic acid
CID 43468799
4-iodo-N-(2-methyl-3-sulfamoylphenyl)benzamide
CID 61034623
4-(cyclopropylsulfamoyl)-N-(2-methylsulfanylphenyl)benzamide
CID 46533931

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide (CID 71874465) is N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide is Cc1c(NC(=O)c2ccsc2)cccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide?
The InChIKey is XBBLZSMBIYYKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-10-13(16-15(18)11-7-8-21-9-11)3-2-4-14(10)22(19,20)17-12-5-6-12/h2-4,7-9,12,17H,5-6H2,1H3,(H,16,18).
What are the key properties of N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide?
N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)-2-methylphenyl]thiophene-3-carboxamide is sourced from PubChem (CID 71874465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).