N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide

C28H33N3O5S — CID 87310125

IUPACN-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide
SMILESCCC1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3c(C=O)c(-c4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C28H33N3O5S/c1-2-22-18-36-15-14-31(22)28(33)20-8-10-21(11-9-20)30-37(34,35)23-12-13-24-25(17-32)27(29-26(24)16-23)19-6-4-3-5-7-19/h3-7,12-13,16-17,20-22,29-30H,2,8-11,14-15,18H2,1H3
InChIKeyPRQLLGQKXAVTHD-UHFFFAOYSA-N
MW523.66 g/mol
LogP4.12
Rot. Bonds7

About N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide

N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide (PubChem CID 87310125) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide
PubChem CID87310125
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC NameN-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide
SMILESCCC1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3c(C=O)c(-c4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C28H33N3O5S/c1-2-22-18-36-15-14-31(22)28(33)20-8-10-21(11-9-20)30-37(34,35)23-12-13-24-25(17-32)27(29-26(24)16-23)19-6-4-3-5-7-19/h3-7,12-13,16-17,20-22,29-30H,2,8-11,14-15,18H2,1H3
InChIKeyPRQLLGQKXAVTHD-UHFFFAOYSA-N
XLogP4.12
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-3-methyl-2-phenyl-1H-indole-6-sulfonamide
CID 66710111
3-chloro-N-[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]-2-[4-(2-methoxyethyl)phenyl]-1H-indole-6-sulfonamide
CID 90096579
3-chloro-2-[4-(2-methoxyethyl)phenyl]-N-[4-(3-propan-2-ylmorpholine-4-carbonyl)cyclohexyl]-1H-indole-6-sulfonamide
CID 90096539
N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-1-methyl-2-phenylindole-6-sulfonamide
CID 90096545
3-[4-[4-[[4-(3-phenylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]phenyl]phenyl]propanoic acid
CID 58292072
3-chloro-N-[4-[(3S)-3-cyclopropylmorpholine-4-carbonyl]cyclohexyl]-2-(4-ethylphenyl)-1-methylindole-6-sulfonamide
CID 67208081
3-chloro-2-cyclopropyl-1-methyl-N-[4-[(3S)-3-methylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 90096570
N-[4-(isoindole-2-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 90096563
N-[4-(4-methoxypiperidine-1-carbonyl)cyclohexyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 90217546
3-[4-[3-chloro-6-[[4-(3-cyclopropylmorpholine-4-carbonyl)cyclohexyl]sulfamoyl]-1-methylindol-2-yl]phenyl]propanoic acid
CID 66710091
2-(4-ethylphenyl)-1-methyl-N-[4-[(3S)-3-propan-2-ylmorpholine-4-carbonyl]cyclohexyl]indole-6-sulfonamide
CID 67208084
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide?
The IUPAC name of N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide (CID 87310125) is N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide?
The canonical SMILES for N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide is CCC1COCCN1C(=O)C1CCC(NS(=O)(=O)c2ccc3c(C=O)c(-c4ccccc4)[nH]c3c2)CC1.
What is the InChIKey of N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide?
The InChIKey is PRQLLGQKXAVTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-2-22-18-36-15-14-31(22)28(33)20-8-10-21(11-9-20)30-37(34,35)23-12-13-24-25(17-32)27(29-26(24)16-23)19-6-4-3-5-7-19/h3-7,12-13,16-17,20-22,29-30H,2,8-11,14-15,18H2,1H3.
What are the key properties of N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide?
N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide has a molecular weight of 523.66 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethylmorpholine-4-carbonyl)cyclohexyl]-3-formyl-2-phenyl-1H-indole-6-sulfonamide is sourced from PubChem (CID 87310125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).