4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide

C29H33ClN2OS — CID 44525823

IUPAC4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)CC2)CC1
InChIInChI=1S/C29H33ClN2OS/c1-20-4-2-3-5-27(20)22-14-16-32(17-15-22)26-12-10-25(11-13-26)31-29(33)28-18-23(19-34-28)21-6-8-24(30)9-7-21/h2-9,18-19,22,25-26H,10-17H2,1H3,(H,31,33)
InChIKeyOYJUBNTVRMEGID-UHFFFAOYSA-N
MW493.12 g/mol
LogP7.30
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide

4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide (PubChem CID 44525823) has the molecular formula C29H33ClN2OS and a molecular weight of 493.12 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide
PubChem CID44525823
Molecular FormulaC29H33ClN2OS
Molecular Weight493.12 g/mol
Exact Mass492.20
IUPAC Name4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide
SMILESCc1ccccc1C1CCN(C2CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)CC2)CC1
InChIInChI=1S/C29H33ClN2OS/c1-20-4-2-3-5-27(20)22-14-16-32(17-15-22)26-12-10-25(11-13-26)31-29(33)28-18-23(19-34-28)21-6-8-24(30)9-7-21/h2-9,18-19,22,25-26H,10-17H2,1H3,(H,31,33)
InChIKeyOYJUBNTVRMEGID-UHFFFAOYSA-N
XLogP7.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.12
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide (CID 44525823) is 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide is Cc1ccccc1C1CCN(C2CCC(NC(=O)c3cc(-c4ccc(Cl)cc4)cs3)CC2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide?
The InChIKey is OYJUBNTVRMEGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2OS/c1-20-4-2-3-5-27(20)22-14-16-32(17-15-22)26-12-10-25(11-13-26)31-29(33)28-18-23(19-34-28)21-6-8-24(30)9-7-21/h2-9,18-19,22,25-26H,10-17H2,1H3,(H,31,33).
What are the key properties of 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide?
4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide has a molecular weight of 493.12 g/mol, XLogP of 7.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-[4-(2-methylphenyl)piperidin-1-yl]cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 44525823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).