5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide

C21H26N4OS — CID 143163414

IUPAC5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)Nc2ccc3c(c2)CCN3)sc1NC1CCCCC1
InChIInChI=1S/C21H26N4OS/c1-13(22)17-12-19(27-21(17)25-15-5-3-2-4-6-15)20(26)24-16-7-8-18-14(11-16)9-10-23-18/h7-8,11-12,15,22-23,25H,2-6,9-10H2,1H3,(H,24,26)/b22-13+
InChIKeyYDVJZLYTTPHWRG-LPYMAVHISA-N
MW382.53 g/mol
LogP5.10
Rot. Bonds5

About 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide

5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide (PubChem CID 143163414) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide
PubChem CID143163414
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide
SMILES[H]/N=C(\C)c1cc(C(=O)Nc2ccc3c(c2)CCN3)sc1NC1CCCCC1
InChIInChI=1S/C21H26N4OS/c1-13(22)17-12-19(27-21(17)25-15-5-3-2-4-6-15)20(26)24-16-7-8-18-14(11-16)9-10-23-18/h7-8,11-12,15,22-23,25H,2-6,9-10H2,1H3,(H,24,26)/b22-13+
InChIKeyYDVJZLYTTPHWRG-LPYMAVHISA-N
XLogP5.10
TPSA77.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboxamide
CID 63283038
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-2-carboxamide
CID 63252721
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzamide
CID 63252782
2,5-dichloro-N-(2,3-dihydro-1H-indol-5-yl)thiophene-3-carboxamide
CID 103806044
N-(2,3-dihydro-1H-indol-5-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81479241
N-(2,3-dihydro-1H-indol-5-yl)cyclobutanecarboxamide
CID 63252649
N-(2,3-dihydro-1H-indol-5-yl)-2-fluoro-5-methylbenzamide
CID 63252982
5-bromo-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzamide
CID 65312010
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612
2-bromo-N-(2,3-dihydro-1H-indol-5-yl)-5-methylbenzamide
CID 81112809
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
2-acetamido-N-(2,3-dihydro-1H-indol-5-yl)acetamide
CID 63253037

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide (CID 143163414) is 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide is [H]/N=C(\C)c1cc(C(=O)Nc2ccc3c(c2)CCN3)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide?
The InChIKey is YDVJZLYTTPHWRG-LPYMAVHISA-N. The full InChI is InChI=1S/C21H26N4OS/c1-13(22)17-12-19(27-21(17)25-15-5-3-2-4-6-15)20(26)24-16-7-8-18-14(11-16)9-10-23-18/h7-8,11-12,15,22-23,25H,2-6,9-10H2,1H3,(H,24,26)/b22-13+.
What are the key properties of 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide?
5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 5.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-(2,3-dihydro-1H-indol-5-yl)-4-ethanimidoylthiophene-2-carboxamide is sourced from PubChem (CID 143163414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).