N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide

C15H17ClN2O4S2 — CID 113070260

IUPACN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(N(CCNC(=O)c2cccs2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H17ClN2O4S2/c1-22-13-6-5-11(10-12(13)16)18(24(2,20)21)8-7-17-15(19)14-4-3-9-23-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyXBXWMYUJXHITNH-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.61
Rot. Bonds7

About N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide

N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113070260) has the molecular formula C15H17ClN2O4S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
PubChem CID113070260
Molecular FormulaC15H17ClN2O4S2
Molecular Weight388.90 g/mol
Exact Mass388.03
IUPAC NameN-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCOc1ccc(N(CCNC(=O)c2cccs2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H17ClN2O4S2/c1-22-13-6-5-11(10-12(13)16)18(24(2,20)21)8-7-17-15(19)14-4-3-9-23-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyXBXWMYUJXHITNH-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)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-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]acetamide
CID 113070248
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070266
N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113071113
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069987
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059977
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[2-(N-acetyl-3,4,5-trimethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113063397
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 53280942
N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499997
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
N-[2-(3,4-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113071916

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (CID 113070260) is N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is COc1ccc(N(CCNC(=O)c2cccs2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is XBXWMYUJXHITNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S2/c1-22-13-6-5-11(10-12(13)16)18(24(2,20)21)8-7-17-15(19)14-4-3-9-23-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113070260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).