3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide

C32H35N5O4S — CID 54587654

IUPAC3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide
SMILESCn1c(-c2ccccn2)c(C2CCCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CCC3)cc21
InChIInChI=1S/C32H35N5O4S/c1-37-27-20-22(11-16-25(27)28(21-8-3-2-4-9-21)29(37)26-10-5-6-19-34-26)30(38)36-32(17-7-18-32)31(39)35-23-12-14-24(15-13-23)42(33,40)41/h5-6,10-16,19-21H,2-4,7-9,17-18H2,1H3,(H,35,39)(H,36,38)(H2,33,40,41)
InChIKeyAAMFRYNJAMMALZ-UHFFFAOYSA-N
MW585.73 g/mol
LogP5.23
Rot. Bonds7

About 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide

3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide (PubChem CID 54587654) has the molecular formula C32H35N5O4S and a molecular weight of 585.73 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide
PubChem CID54587654
Molecular FormulaC32H35N5O4S
Molecular Weight585.73 g/mol
Exact Mass585.24
IUPAC Name3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide
SMILESCn1c(-c2ccccn2)c(C2CCCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CCC3)cc21
InChIInChI=1S/C32H35N5O4S/c1-37-27-20-22(11-16-25(27)28(21-8-3-2-4-9-21)29(37)26-10-5-6-19-34-26)30(38)36-32(17-7-18-32)31(39)35-23-12-14-24(15-13-23)42(33,40)41/h5-6,10-16,19-21H,2-4,7-9,17-18H2,1H3,(H,35,39)(H,36,38)(H2,33,40,41)
InChIKeyAAMFRYNJAMMALZ-UHFFFAOYSA-N
XLogP5.23
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.73
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide?
The IUPAC name of 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide (CID 54587654) is 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide.
What is the SMILES notation for 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide?
The canonical SMILES for 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide is Cn1c(-c2ccccn2)c(C2CCCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(S(N)(=O)=O)cc4)CCC3)cc21.
What is the InChIKey of 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide?
The InChIKey is AAMFRYNJAMMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4S/c1-37-27-20-22(11-16-25(27)28(21-8-3-2-4-9-21)29(37)26-10-5-6-19-34-26)30(38)36-32(17-7-18-32)31(39)35-23-12-14-24(15-13-23)42(33,40)41/h5-6,10-16,19-21H,2-4,7-9,17-18H2,1H3,(H,35,39)(H,36,38)(H2,33,40,41).
What are the key properties of 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide?
3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide has a molecular weight of 585.73 g/mol, XLogP of 5.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-2-pyridin-2-yl-N-[1-[(4-sulfamoylphenyl)carbamoyl]cyclobutyl]indole-6-carboxamide is sourced from PubChem (CID 54587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).