N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide

C14H14ClNO2S — CID 44535683

IUPACN-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-2-7-18-12-6-5-10(9-11(12)15)16-14(17)13-4-3-8-19-13/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyCWNRZCUQOUPFES-UHFFFAOYSA-N
MW295.79 g/mol
LogP4.44
Rot. Bonds5

About N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide

N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide (PubChem CID 44535683) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
PubChem CID44535683
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccs2)cc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-2-7-18-12-6-5-10(9-11(12)15)16-14(17)13-4-3-8-19-13/h3-6,8-9H,2,7H2,1H3,(H,16,17)
InChIKeyCWNRZCUQOUPFES-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide (CID 44535683) is N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide is CCCOc1ccc(NC(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide?
The InChIKey is CWNRZCUQOUPFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-2-7-18-12-6-5-10(9-11(12)15)16-14(17)13-4-3-8-19-13/h3-6,8-9H,2,7H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide?
N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 44535683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).