5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide

C19H16ClN3O3S — CID 10250490

IUPAC5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
InChIKeyUCKHUNHXYMAFQM-UHFFFAOYSA-N
MW401.88 g/mol
LogP2.71
Rot. Bonds6

About 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 10250490) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide
PubChem CID10250490
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
InChIKeyUCKHUNHXYMAFQM-UHFFFAOYSA-N
XLogP2.71
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide (CID 10250490) is 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide is O=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is UCKHUNHXYMAFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26).
What are the key properties of 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 10250490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).