6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide

C27H30N4O4S — CID 142032448

IUPAC6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H30N4O4S/c1-20-17-22-7-12-25(36(33,34)28-19-21-5-3-2-4-6-21)18-26(22)31(20)27(32)29-23-8-10-24(11-9-23)30-13-15-35-16-14-30/h2-12,18,20,28H,13-17,19H2,1H3,(H,29,32)
InChIKeyIYBZRCKXYGOOEZ-UHFFFAOYSA-N
MW506.63 g/mol
LogP3.98
Rot. Bonds6

About 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide

6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 142032448) has the molecular formula C27H30N4O4S and a molecular weight of 506.63 g/mol. Its IUPAC name is 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide
PubChem CID142032448
Molecular FormulaC27H30N4O4S
Molecular Weight506.63 g/mol
Exact Mass506.20
IUPAC Name6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide
SMILESCC1Cc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H30N4O4S/c1-20-17-22-7-12-25(36(33,34)28-19-21-5-3-2-4-6-21)18-26(22)31(20)27(32)29-23-8-10-24(11-9-23)30-13-15-35-16-14-30/h2-12,18,20,28H,13-17,19H2,1H3,(H,29,32)
InChIKeyIYBZRCKXYGOOEZ-UHFFFAOYSA-N
XLogP3.98
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methylsulfamoyl]phenyl]acetamide
CID 95082961
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
2-methyl-5-(methylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 11774332
N-[(4-morpholin-4-ylphenyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110405168
6-(cyclopropylsulfamoyl)-2-methyl-N-[(4-phenylphenyl)methyl]-2,3-dihydroindole-1-carboxamide
CID 142032480
4-acetyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 110405170
N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
CID 142032414
methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592833
N-[[(2R)-1-benzoyl-2-methyl-2,3-dihydroindol-6-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 95083006
2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 142032467
N-benzyl-4-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 4808018
N-benzyl-4-piperidin-1-ylbenzenesulfonamide
CID 735438

Frequently Asked Questions

What is the IUPAC name of 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide (CID 142032448) is 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide is CC1Cc2ccc(S(=O)(=O)NCc3ccccc3)cc2N1C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is IYBZRCKXYGOOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4S/c1-20-17-22-7-12-25(36(33,34)28-19-21-5-3-2-4-6-21)18-26(22)31(20)27(32)29-23-8-10-24(11-9-23)30-13-15-35-16-14-30/h2-12,18,20,28H,13-17,19H2,1H3,(H,29,32).
What are the key properties of 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide?
6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 506.63 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 142032448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).