5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide

C18H19N3O4S — CID 42808947

IUPAC5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H19N3O4S/c1-25-10-9-19-18(22)17-12-13-11-14(7-8-16(13)20-17)21-26(23,24)15-5-3-2-4-6-15/h2-8,11-12,20-21H,9-10H2,1H3,(H,19,22)
InChIKeyMXPBABZCENQGCF-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.34
Rot. Bonds7

About 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide

5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide (PubChem CID 42808947) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
PubChem CID42808947
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H19N3O4S/c1-25-10-9-19-18(22)17-12-13-11-14(7-8-16(13)20-17)21-26(23,24)15-5-3-2-4-6-15/h2-8,11-12,20-21H,9-10H2,1H3,(H,19,22)
InChIKeyMXPBABZCENQGCF-UHFFFAOYSA-N
XLogP2.34
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide
CID 4109494
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
3-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 43053559
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 18161967
5-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221438
5-[(5-bromo-2-methylphenyl)sulfonylamino]-N-methyl-1H-indole-2-carboxamide
CID 166221467
N-[4-(2-methoxyethoxy)phenyl]benzenesulfonamide
CID 39874629

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide (CID 42808947) is 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide is COCCNC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3)ccc2[nH]1.
What is the InChIKey of 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide?
The InChIKey is MXPBABZCENQGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-25-10-9-19-18(22)17-12-13-11-14(7-8-16(13)20-17)21-26(23,24)15-5-3-2-4-6-15/h2-8,11-12,20-21H,9-10H2,1H3,(H,19,22).
What are the key properties of 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide?
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 42808947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).