N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C15H17FN2O3S2 — CID 17409937

IUPACN-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(F)c1
InChIInChI=1S/C15H17FN2O3S2/c1-10-3-5-13(12(16)9-10)18-15(19)14-6-4-11(22-14)7-8-17-23(2,20)21/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyNXFYTLOYOUZREO-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.54
Rot. Bonds6

About N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 17409937) has the molecular formula C15H17FN2O3S2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID17409937
Molecular FormulaC15H17FN2O3S2
Molecular Weight356.44 g/mol
Exact Mass356.07
IUPAC NameN-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(F)c1
InChIInChI=1S/C15H17FN2O3S2/c1-10-3-5-13(12(16)9-10)18-15(19)14-6-4-11(22-14)7-8-17-23(2,20)21/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyNXFYTLOYOUZREO-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27285772
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 120883960
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 46700188
N-[2-[5-[2-(2,4-dimethylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 27352472
N-[1-(4-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 43034279
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
N-(2,4-difluorophenyl)-4-[2-(methanesulfonamido)ethyl]benzamide
CID 27005483
N-[6-(dimethylamino)-3-pyridinyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17489969
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 30525669

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 17409937) is N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is NXFYTLOYOUZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S2/c1-10-3-5-13(12(16)9-10)18-15(19)14-6-4-11(22-14)7-8-17-23(2,20)21/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17409937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).