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

C15H17ClN2O3S2 — CID 113069987

IUPACN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCc1c(Cl)cccc1N(CCNC(=O)c1cccs1)S(C)(=O)=O
InChIInChI=1S/C15H17ClN2O3S2/c1-11-12(16)5-3-6-13(11)18(23(2,20)21)9-8-17-15(19)14-7-4-10-22-14/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyURXOIJLUWQMHBE-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.91
Rot. Bonds6

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

N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113069987) has the molecular formula C15H17ClN2O3S2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
PubChem CID113069987
Molecular FormulaC15H17ClN2O3S2
Molecular Weight372.90 g/mol
Exact Mass372.04
IUPAC NameN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCc1c(Cl)cccc1N(CCNC(=O)c1cccs1)S(C)(=O)=O
InChIInChI=1S/C15H17ClN2O3S2/c1-11-12(16)5-3-6-13(11)18(23(2,20)21)9-8-17-15(19)14-7-4-10-22-14/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyURXOIJLUWQMHBE-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113069981
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113070260
N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113071113
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
CID 113063780
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
2-chloro-6-fluoro-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068562
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113068548

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (CID 113069987) is N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is Cc1c(Cl)cccc1N(CCNC(=O)c1cccs1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is URXOIJLUWQMHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3S2/c1-11-12(16)5-3-6-13(11)18(23(2,20)21)9-8-17-15(19)14-7-4-10-22-14/h3-7,10H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113069987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).