5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide

C13H13NO3S2 — CID 71920351

IUPAC5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H13NO3S2/c1-14(2)13(15)11-8-9-12(18-11)19(16,17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyJJKSZADSMVBNDN-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.28
Rot. Bonds3

About 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide

5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 71920351) has the molecular formula C13H13NO3S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID71920351
Molecular FormulaC13H13NO3S2
Molecular Weight295.39 g/mol
Exact Mass295.03
IUPAC Name5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C13H13NO3S2/c1-14(2)13(15)11-8-9-12(18-11)19(16,17)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyJJKSZADSMVBNDN-UHFFFAOYSA-N
XLogP2.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N2,N2-dimethyl-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamide
CID 2820417
N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
[4-(Benzenesulfonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 717233
(5-Methylthiophen-2-yl)[4-(phenylsulfonyl)piperazin-1-yl]methanone
CID 4506512
N-methyl-N-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)-2-thiophenecarboxamide
CID 2952541
2-Thiophenecarboxamide, N,N-dimethyl-
CID 141583
N,N-Dimethyl-5-{[(4-methylphenyl)methyl]sulfamoyl}thiophene-2-carboxamide
CID 16028020
(4-Propylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 652970
N-methyl-4-propan-2-ylsulfonylthiophene-2-carboxamide
CID 23548730
US10807974, Example 51
CID 130358050

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide (CID 71920351) is 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is JJKSZADSMVBNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S2/c1-14(2)13(15)11-8-9-12(18-11)19(16,17)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide?
5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 71920351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).