4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide

C19H16N4O3S — CID 177373769

IUPAC4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide
SMILESCCOc1csc(C(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)c1
InChIInChI=1S/C19H16N4O3S/c1-2-26-13-7-17(27-9-13)19(25)22-11-3-4-16-14(5-11)15(18(24)23-16)6-12-8-20-10-21-12/h3-10H,2H2,1H3,(H,20,21)(H,22,25)(H,23,24)
InChIKeyXAOUNMKSGFCSHE-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.61
Rot. Bonds5

About 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide

4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide (PubChem CID 177373769) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide
PubChem CID177373769
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide
SMILESCCOc1csc(C(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)c1
InChIInChI=1S/C19H16N4O3S/c1-2-26-13-7-17(27-9-13)19(25)22-11-3-4-16-14(5-11)15(18(24)23-16)6-12-8-20-10-21-12/h3-10H,2H2,1H3,(H,20,21)(H,22,25)(H,23,24)
InChIKeyXAOUNMKSGFCSHE-UHFFFAOYSA-N
XLogP3.61
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-5-(2-chloroacetyl)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 53310126
5-[(5-fluoro-2-methoxy-3-pyridinyl)methylamino]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 175592086
5-ethoxy-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 78015992
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
5-bromo-1-[(3,4-difluorophenyl)methyl]-N-[2-[[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]amino]-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 138628591
1-[(3,4-difluorophenyl)methyl]-N-[(1R)-2-[[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]amino]-2-oxo-1-phenylethyl]-2-oxopyridine-3-carboxamide
CID 171319008
3-[(4-ethoxyphenyl)methylidene]-5-iodo-1H-indol-2-one
CID 57187568
(4E)-4-(1H-imidazol-5-ylmethylidene)-6H-thieno[2,3-b]pyrrol-5-one
CID 18626994
5-[6-(cyclopentylamino)pyrazin-2-yl]-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 171662566
N-(4-ethoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepine-3-carboxamide
CID 91813173
N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
CID 155758920
(3Z)-3-[(2-ethyl-1H-imidazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one
CID 71155184

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide?
The IUPAC name of 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide (CID 177373769) is 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide is CCOc1csc(C(=O)Nc2ccc3c(c2)C(=Cc2cnc[nH]2)C(=O)N3)c1.
What is the InChIKey of 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide?
The InChIKey is XAOUNMKSGFCSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-2-26-13-7-17(27-9-13)19(25)22-11-3-4-16-14(5-11)15(18(24)23-16)6-12-8-20-10-21-12/h3-10H,2H2,1H3,(H,20,21)(H,22,25)(H,23,24).
What are the key properties of 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide?
4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[3-(1H-imidazol-5-ylmethylidene)-2-oxo-1H-indol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 177373769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).