4-chloro-N,N-dimethylthiophene-3-carboxamide

C7H8ClNOS — CID 23057993

IUPAC4-chloro-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1cscc1Cl
InChIInChI=1S/C7H8ClNOS/c1-9(2)7(10)5-3-11-4-6(5)8/h3-4H,1-2H3
InChIKeyQRWRGYXSPINEKJ-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.10
Rot. Bonds1

About 4-chloro-N,N-dimethylthiophene-3-carboxamide

4-chloro-N,N-dimethylthiophene-3-carboxamide (PubChem CID 23057993) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 4-chloro-N,N-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethylthiophene-3-carboxamide
PubChem CID23057993
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name4-chloro-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1cscc1Cl
InChIInChI=1S/C7H8ClNOS/c1-9(2)7(10)5-3-11-4-6(5)8/h3-4H,1-2H3
InChIKeyQRWRGYXSPINEKJ-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Chlorothiophen-3-yl)-[3-(difluoromethyl)azetidin-1-yl]methanone
CID 137956487
4-fluoro-N,N-dimethylthiophene-3-carboxamide
CID 176240977
4-Chlorothiophene-3-carboxamide
CID 23058085
5-Chloro-N-methoxy-N-methyl-3-thiophenecarboxamide
CID 87693111
4-chloro-N,N-diethylthiophene-3-carboxamide
CID 89817052
2-chloro-N-methylthiophene-3-carboxamide
CID 146570971
Butyl-(2-chlorothiophene-3-carbonyl)azanide;yttrium
CID 157924173
Butyl-(2,4-dichlorothiophene-3-carbonyl)azanide;yttrium
CID 161964326
4-Chlorothiophene-3-carbonyl azide
CID 50852478
N,N,4-Trimethyl-3-thiophenecarboxamide
CID 79778068
2,5-dichloro-N,N-dipropylthiophene-3-carboxamide
CID 86910277
N-butyl-2,5-dichloro-N-ethylthiophene-3-carboxamide
CID 86910308

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethylthiophene-3-carboxamide?
The IUPAC name of 4-chloro-N,N-dimethylthiophene-3-carboxamide (CID 23057993) is 4-chloro-N,N-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N-dimethylthiophene-3-carboxamide?
The canonical SMILES for 4-chloro-N,N-dimethylthiophene-3-carboxamide is CN(C)C(=O)c1cscc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethylthiophene-3-carboxamide?
The InChIKey is QRWRGYXSPINEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-9(2)7(10)5-3-11-4-6(5)8/h3-4H,1-2H3.
What are the key properties of 4-chloro-N,N-dimethylthiophene-3-carboxamide?
4-chloro-N,N-dimethylthiophene-3-carboxamide has a molecular weight of 189.67 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 23057993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).