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

C25H28N4O3S — CID 73055443

IUPAC6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(C(=O)NC3CC3)c(NC(=O)c3cccs3)[nH]c2c1
InChIInChI=1S/C25H28N4O3S/c1-29(25(32)15-6-3-2-4-7-15)17-11-12-18-19(14-17)27-22(21(18)24(31)26-16-9-10-16)28-23(30)20-8-5-13-33-20/h5,8,11-16,27H,2-4,6-7,9-10H2,1H3,(H,26,31)(H,28,30)
InChIKeyINXSIRHLFXHWGP-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.92
Rot. Bonds6

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

6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide (PubChem CID 73055443) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
PubChem CID73055443
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(C(=O)NC3CC3)c(NC(=O)c3cccs3)[nH]c2c1
InChIInChI=1S/C25H28N4O3S/c1-29(25(32)15-6-3-2-4-7-15)17-11-12-18-19(14-17)27-22(21(18)24(31)26-16-9-10-16)28-23(30)20-8-5-13-33-20/h5,8,11-16,27H,2-4,6-7,9-10H2,1H3,(H,26,31)(H,28,30)
InChIKeyINXSIRHLFXHWGP-UHFFFAOYSA-N
XLogP4.92
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
The IUPAC name of 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide (CID 73055443) is 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
The canonical SMILES for 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide is CN(C(=O)C1CCCCC1)c1ccc2c(C(=O)NC3CC3)c(NC(=O)c3cccs3)[nH]c2c1.
What is the InChIKey of 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
The InChIKey is INXSIRHLFXHWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-29(25(32)15-6-3-2-4-7-15)17-11-12-18-19(14-17)27-22(21(18)24(31)26-16-9-10-16)28-23(30)20-8-5-13-33-20/h5,8,11-16,27H,2-4,6-7,9-10H2,1H3,(H,26,31)(H,28,30).
What are the key properties of 6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide?
6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.92, 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-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 73055443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).