5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C24H22ClN3O4S — CID 118731969

IUPAC5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H22ClN3O4S/c1-32-17-9-10-19(27-24(31)20-11-12-21(25)33-20)18(14-17)23(30)26-15-5-7-16(8-6-15)28-13-3-2-4-22(28)29/h5-12,14H,2-4,13H2,1H3,(H,26,30)(H,27,31)
InChIKeyAYQQMPLKUUVAJJ-UHFFFAOYSA-N
MW483.98 g/mol
LogP5.43
Rot. Bonds6

About 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 118731969) has the molecular formula C24H22ClN3O4S and a molecular weight of 483.98 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID118731969
Molecular FormulaC24H22ClN3O4S
Molecular Weight483.98 g/mol
Exact Mass483.10
IUPAC Name5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H22ClN3O4S/c1-32-17-9-10-19(27-24(31)20-11-12-21(25)33-20)18(14-17)23(30)26-15-5-7-16(8-6-15)28-13-3-2-4-22(28)29/h5-12,14H,2-4,13H2,1H3,(H,26,30)(H,27,31)
InChIKeyAYQQMPLKUUVAJJ-UHFFFAOYSA-N
XLogP5.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.98
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 16731819
CID 16731819
CID 946539
CID 946539
CID 1088841
CID 1088841
CID 118731971
CID 118731971
CID 118731972
CID 118731972
CID 137643322
CID 137643322
CID 155510611
CID 155510611
CID 155534286
CID 155534286
CID 1093489
CID 1093489
CID 2796536
CID 2796536
CID 1255423
CID 1255423
CID 1288047
CID 1288047

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 118731969) is 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is COc1ccc(NC(=O)c2ccc(Cl)s2)c(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is AYQQMPLKUUVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O4S/c1-32-17-9-10-19(27-24(31)20-11-12-21(25)33-20)18(14-17)23(30)26-15-5-7-16(8-6-15)28-13-3-2-4-22(28)29/h5-12,14H,2-4,13H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?
5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 483.98 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 118731969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).