6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide

C25H30N4O3S — CID 73055442

IUPAC6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
SMILESCC(C)NC(=O)c1c(NC(=O)c2cccs2)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C25H30N4O3S/c1-15(2)26-24(31)21-18-12-11-17(29(3)25(32)16-8-5-4-6-9-16)14-19(18)27-22(21)28-23(30)20-10-7-13-33-20/h7,10-16,27H,4-6,8-9H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyGGVLYTHBOMDZPM-UHFFFAOYSA-N
MW466.61 g/mol
LogP5.16
Rot. Bonds6

About 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide

6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide (PubChem CID 73055442) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
PubChem CID73055442
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
SMILESCC(C)NC(=O)c1c(NC(=O)c2cccs2)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12
InChIInChI=1S/C25H30N4O3S/c1-15(2)26-24(31)21-18-12-11-17(29(3)25(32)16-8-5-4-6-9-16)14-19(18)27-22(21)28-23(30)20-10-7-13-33-20/h7,10-16,27H,4-6,8-9H2,1-3H3,(H,26,31)(H,28,30)
InChIKeyGGVLYTHBOMDZPM-UHFFFAOYSA-N
XLogP5.16
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73055443
ethyl 6-[cyclohexanecarbonyl(methyl)amino]-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxylate
CID 73056316
6-[cyclopentanecarbonyl(methyl)amino]-N-ethyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73054304
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide
CID 123744950
N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 73056034
6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide
CID 144568392
2-[(4-cyanocyclohexa-1,3-diene-1-carbonyl)amino]-6-[cyclohexanecarbonyl(methyl)amino]-1H-indole-3-carboxamide
CID 123513734
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-(2-methoxyethyl)-1H-indole-3-carboxamide
CID 123589698
N-[1-(3-amino-3-oxopropyl)-5-[cyclopentanecarbonyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 58742868
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-(3H-benzimidazol-5-yl)-N-methylcyclobutanecarboxamide
CID 110869220

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
The IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide (CID 73055442) is 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide is CC(C)NC(=O)c1c(NC(=O)c2cccs2)[nH]c2cc(N(C)C(=O)C3CCCCC3)ccc12.
What is the InChIKey of 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
The InChIKey is GGVLYTHBOMDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-15(2)26-24(31)21-18-12-11-17(29(3)25(32)16-8-5-4-6-9-16)14-19(18)27-22(21)28-23(30)20-10-7-13-33-20/h7,10-16,27H,4-6,8-9H2,1-3H3,(H,26,31)(H,28,30).
What are the key properties of 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 73055442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).