2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide

C29H37N3O5S — CID 90096575

IUPAC2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide
SMILESCOCc1ccc(-c2cc3ccc(S(=O)(=O)NC4CCC(C(=O)N5CCOCC5C)CC4)cc3n2C)cc1
InChIInChI=1S/C29H37N3O5S/c1-20-18-37-15-14-32(20)29(33)23-8-11-25(12-9-23)30-38(34,35)26-13-10-24-16-27(31(2)28(24)17-26)22-6-4-21(5-7-22)19-36-3/h4-7,10,13,16-17,20,23,25,30H,8-9,11-12,14-15,18-19H2,1-3H3
InChIKeyIZNBLRCBEFHJHW-UHFFFAOYSA-N
MW539.70 g/mol
LogP4.08
Rot. Bonds7

About 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide

2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide (PubChem CID 90096575) has the molecular formula C29H37N3O5S and a molecular weight of 539.70 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide.

Molecular Properties

Compound Name2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide
PubChem CID90096575
Molecular FormulaC29H37N3O5S
Molecular Weight539.70 g/mol
Exact Mass539.25
IUPAC Name2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide
SMILESCOCc1ccc(-c2cc3ccc(S(=O)(=O)NC4CCC(C(=O)N5CCOCC5C)CC4)cc3n2C)cc1
InChIInChI=1S/C29H37N3O5S/c1-20-18-37-15-14-32(20)29(33)23-8-11-25(12-9-23)30-38(34,35)26-13-10-24-16-27(31(2)28(24)17-26)22-6-4-21(5-7-22)19-36-3/h4-7,10,13,16-17,20,23,25,30H,8-9,11-12,14-15,18-19H2,1-3H3
InChIKeyIZNBLRCBEFHJHW-UHFFFAOYSA-N
XLogP4.08
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.70
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide with MolForge

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Related Compounds

2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 67208084
ethyl 1-[4-[[2-[4-(methoxymethyl)phenyl]-1-methylindol-6-yl]sulfonylamino]cyclohexanecarbonyl]piperidine-2-carboxylate
CID 90096616
3-[4-[1-methyl-6-[[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 66710234
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096545
N-[4-(2,4-dimethylpiperazine-1-carbonyl)cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096762
3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 90096570
3-[4-[1-methyl-6-[[4-(piperidine-1-carbonyl)cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoic acid
CID 90096482
2-cyclopropyl-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 58074376
3-[4-[6-[[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 90096418
N-[4-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096466
methyl 3-[4-[1-methyl-6-[[4-(propylcarbamoyl)cyclohexyl]sulfamoyl]indol-2-yl]phenyl]propanoate
CID 140638165
3-chloro-N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-2-(4-ethylphenyl)-1-methylindole-6-sulfonamide
CID 67208081

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide?
The IUPAC name of 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide (CID 90096575) is 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide.
What is the SMILES notation for 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide?
The canonical SMILES for 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide is COCc1ccc(-c2cc3ccc(S(=O)(=O)NC4CCC(C(=O)N5CCOCC5C)CC4)cc3n2C)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide?
The InChIKey is IZNBLRCBEFHJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O5S/c1-20-18-37-15-14-32(20)29(33)23-8-11-25(12-9-23)30-38(34,35)26-13-10-24-16-27(31(2)28(24)17-26)22-6-4-21(5-7-22)19-36-3/h4-7,10,13,16-17,20,23,25,30H,8-9,11-12,14-15,18-19H2,1-3H3.
What are the key properties of 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide?
2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide has a molecular weight of 539.70 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)phenyl]-1-methyl-N-[4-(3-methylmorpholine-4-carbonyl)cyclohexyl]indole-6-sulfonamide is sourced from PubChem (CID 90096575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).