N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H30ClN3O2S — CID 26560125

IUPACN-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H30ClN3O2S/c25-19-10-9-18(16-20(19)27-23(30)21-8-7-15-31-21)22(29)26-17-24(11-3-1-4-12-24)28-13-5-2-6-14-28/h7-10,15-16H,1-6,11-14,17H2,(H,26,29)(H,27,30)
InChIKeyGFLHNVNXVVJALS-UHFFFAOYSA-N
MW460.04 g/mol
LogP5.57
Rot. Bonds6

About N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 26560125) has the molecular formula C24H30ClN3O2S and a molecular weight of 460.04 g/mol. Its IUPAC name is N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID26560125
Molecular FormulaC24H30ClN3O2S
Molecular Weight460.04 g/mol
Exact Mass459.17
IUPAC NameN-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1
InChIInChI=1S/C24H30ClN3O2S/c25-19-10-9-18(16-20(19)27-23(30)21-8-7-15-31-21)22(29)26-17-24(11-3-1-4-12-24)28-13-5-2-6-14-28/h7-10,15-16H,1-6,11-14,17H2,(H,26,29)(H,27,30)
InChIKeyGFLHNVNXVVJALS-UHFFFAOYSA-N
XLogP5.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.04
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55339455
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-(2-piperazin-1-ylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119447731
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 35672039
N-[2-chloro-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55461957
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
N-[2-chloro-5-[3-(2,5-dioxopyrrolidin-1-yl)propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 56558502
N-[2-chloro-5-[2-(2,6-dimethylmorpholin-4-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 43044364
N-[2-chloro-5-[(3-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 46798645
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 26560125) is N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is GFLHNVNXVVJALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2S/c25-19-10-9-18(16-20(19)27-23(30)21-8-7-15-31-21)22(29)26-17-24(11-3-1-4-12-24)28-13-5-2-6-14-28/h7-10,15-16H,1-6,11-14,17H2,(H,26,29)(H,27,30).
What are the key properties of N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 460.04 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(1-piperidin-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 26560125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).