N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

C16H20N2O3S2 — CID 27285772

IUPACN-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1
InChIInChI=1S/C16H20N2O3S2/c1-11-8-12(2)10-13(9-11)18-16(19)15-5-4-14(22-15)6-7-17-23(3,20)21/h4-5,8-10,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyLIEPMLAULPHNQE-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.71
Rot. Bonds6

About N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide

N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (PubChem CID 27285772) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
PubChem CID27285772
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1
InChIInChI=1S/C16H20N2O3S2/c1-11-8-12(2)10-13(9-11)18-16(19)15-5-4-14(22-15)6-7-17-23(3,20)21/h4-5,8-10,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyLIEPMLAULPHNQE-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluoro-4-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17409937
N-(4-fluoro-2-methylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 27286968
5-[2-(methanesulfonamido)ethyl]-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 27006016
N-[6-(dimethylamino)-3-pyridinyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 17489969
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
5-[2-(methanesulfonamido)ethyl]-N-(3-piperidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 27285599
N-[2-[5-[[(4-fluorobenzoyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 46523672
N-[2-[5-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24533063
N-[2-[5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24532124
5-[2-(methanesulfonamido)ethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 30600984
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide (CID 27285772) is N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
The InChIKey is LIEPMLAULPHNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-11-8-12(2)10-13(9-11)18-16(19)15-5-4-14(22-15)6-7-17-23(3,20)21/h4-5,8-10,17H,6-7H2,1-3H3,(H,18,19).
What are the key properties of N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide?
N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 27285772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).