5-chloro-N-propan-2-ylthiophene-3-carboxamide

C8H10ClNOS — CID 20644636

IUPAC5-chloro-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)NC(=O)c1csc(Cl)c1
InChIInChI=1S/C8H10ClNOS/c1-5(2)10-8(11)6-3-7(9)12-4-6/h3-5H,1-2H3,(H,10,11)
InChIKeySHZGXDNFGBPGJM-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.54
Rot. Bonds2

About 5-chloro-N-propan-2-ylthiophene-3-carboxamide

5-chloro-N-propan-2-ylthiophene-3-carboxamide (PubChem CID 20644636) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 5-chloro-N-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-propan-2-ylthiophene-3-carboxamide
PubChem CID20644636
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name5-chloro-N-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)NC(=O)c1csc(Cl)c1
InChIInChI=1S/C8H10ClNOS/c1-5(2)10-8(11)6-3-7(9)12-4-6/h3-5H,1-2H3,(H,10,11)
InChIKeySHZGXDNFGBPGJM-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 5-chloro-N-propan-2-ylthiophene-3-carboxamide (CID 20644636) is 5-chloro-N-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-N-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 5-chloro-N-propan-2-ylthiophene-3-carboxamide is CC(C)NC(=O)c1csc(Cl)c1.
What is the InChIKey of 5-chloro-N-propan-2-ylthiophene-3-carboxamide?
The InChIKey is SHZGXDNFGBPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-5(2)10-8(11)6-3-7(9)12-4-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-chloro-N-propan-2-ylthiophene-3-carboxamide?
5-chloro-N-propan-2-ylthiophene-3-carboxamide has a molecular weight of 203.69 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 20644636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).