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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Related Compounds

Verosudil
CID 66906051
5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
CID 9954980
(S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamido)-2-oxopyrrolidin-1-yl)-3-fluoro-N-methylbenzamide
CID 46226323
4-[(3s)-3-({[(E)-2-(5-Chlorothiophen-2-Yl)ethenyl]sulfonyl}amino)-2-Oxopyrrolidin-1-Yl]-3-Fluoro-N,N-Dimethylbenzamide
CID 46226324
(1S,3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentanecarboxylate
CID 11294993
(3R,4S)-ethyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 24180463
5-chloro-N-((1S,2R)-1-(4-(2-oxopyridin-1(2H)-yl)benzamido)-2,3-dihydro-1H-inden-2-yl)thiophene-2-carboxamide
CID 44434807
5-chloro-N-((1R,2S,4S)-4-(hydroxymethyl)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 44434808
N-((3R,4S)-1-acetyl-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)-5-chlorothiophene-2-carboxamide
CID 44434818
5-chloro-N-((3R,4S)-1-(2-methoxyacetyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434830
(3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 44434831
(3R,4S)-2-methoxyethyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 44434833

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).