2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide

C19H21ClN2O2S — CID 173128268

IUPAC2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)C(c1sccc1C(=O)Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C19H21ClN2O2S/c20-13-6-8-14(9-7-13)22-19(24)15-10-11-25-17(15)16(18(21)23)12-4-2-1-3-5-12/h6-12,16H,1-5H2,(H2,21,23)(H,22,24)
InChIKeyQMELAHUOJBRIJT-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.80
Rot. Bonds5

About 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide

2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide (PubChem CID 173128268) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide
PubChem CID173128268
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide
SMILESNC(=O)C(c1sccc1C(=O)Nc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C19H21ClN2O2S/c20-13-6-8-14(9-7-13)22-19(24)15-10-11-25-17(15)16(18(21)23)12-4-2-1-3-5-12/h6-12,16H,1-5H2,(H2,21,23)(H,22,24)
InChIKeyQMELAHUOJBRIJT-UHFFFAOYSA-N
XLogP4.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide (CID 173128268) is 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide is NC(=O)C(c1sccc1C(=O)Nc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide?
The InChIKey is QMELAHUOJBRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-13-6-8-14(9-7-13)22-19(24)15-10-11-25-17(15)16(18(21)23)12-4-2-1-3-5-12/h6-12,16H,1-5H2,(H2,21,23)(H,22,24).
What are the key properties of 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide?
2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide has a molecular weight of 376.91 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-cyclohexyl-2-oxoethyl)-N-(4-chlorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 173128268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).