5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide

C13H18ClNOS — CID 159200384

IUPAC5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Cl)s1)C1CCCCC1
InChIInChI=1S/C13H18ClNOS/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyRMNUOTNWDGGZBR-VIFPVBQESA-N
MW271.81 g/mol
LogP4.10
Rot. Bonds3

About 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide

5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide (PubChem CID 159200384) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
PubChem CID159200384
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Cl)s1)C1CCCCC1
InChIInChI=1S/C13H18ClNOS/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyRMNUOTNWDGGZBR-VIFPVBQESA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide (CID 159200384) is 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide is C[C@H](NC(=O)c1ccc(Cl)s1)C1CCCCC1.
What is the InChIKey of 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide?
The InChIKey is RMNUOTNWDGGZBR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClNOS/c1-9(10-5-3-2-4-6-10)15-13(16)11-7-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide?
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide has a molecular weight of 271.81 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 159200384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).