N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide

C24H31N3O3S — CID 97442009

IUPACN-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCN(C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C24H31N3O3S/c1-3-25(18-9-5-4-6-10-18)24(28)22-15-21-23(27(22)31(2,29)30)19-11-7-8-12-20(19)26(21)16-17-13-14-17/h7-8,11-12,15,17-18H,3-6,9-10,13-14,16H2,1-2H3
InChIKeyLQKCDKPHARDNRJ-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.61
Rot. Bonds6

About N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide

N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide (PubChem CID 97442009) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide
PubChem CID97442009
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide
SMILESCCN(C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1S(C)(=O)=O)C1CCCCC1
InChIInChI=1S/C24H31N3O3S/c1-3-25(18-9-5-4-6-10-18)24(28)22-15-21-23(27(22)31(2,29)30)19-11-7-8-12-20(19)26(21)16-17-13-14-17/h7-8,11-12,15,17-18H,3-6,9-10,13-14,16H2,1-2H3
InChIKeyLQKCDKPHARDNRJ-UHFFFAOYSA-N
XLogP4.61
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethyl)-1-methyl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407118
4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361470
N,N-dimethyl-1-methylsulfonyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441908
9-(cyclobutylmethyl)carbazole
CID 130274210
(4-methyl-1-methylsulfonylpyrrolo[3,2-b]indol-2-yl)-pyrrolidin-1-ylmethanone
CID 97441780
4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469
4-(cyclopropylmethyl)-1-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155851614
4-[cyclohexyl(methyl)sulfamoyl]-N-cyclopentyl-N-ethylbenzamide
CID 134060936
4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
CID 97442055
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491
N-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide (CID 97442009) is N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide is CCN(C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1S(C)(=O)=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide?
The InChIKey is LQKCDKPHARDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-3-25(18-9-5-4-6-10-18)24(28)22-15-21-23(27(22)31(2,29)30)19-11-7-8-12-20(19)26(21)16-17-13-14-17/h7-8,11-12,15,17-18H,3-6,9-10,13-14,16H2,1-2H3.
What are the key properties of N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide?
N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(cyclopropylmethyl)-N-ethyl-1-methylsulfonylpyrrolo[3,2-b]indole-2-carboxamide is sourced from PubChem (CID 97442009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).