N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide

C23H29N3O4S — CID 3241219

IUPACN-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21
InChIInChI=1S/C23H29N3O4S/c1-4-21(27)26-13-12-18-14-19(10-11-20(18)26)31(29,30)25-22(16(2)3)23(28)24-15-17-8-6-5-7-9-17/h5-11,14,16,22,25H,4,12-13,15H2,1-3H3,(H,24,28)
InChIKeyMUDXMQAOHXIPCA-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.61
Rot. Bonds8

About N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide

N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide (PubChem CID 3241219) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
PubChem CID3241219
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21
InChIInChI=1S/C23H29N3O4S/c1-4-21(27)26-13-12-18-14-19(10-11-20(18)26)31(29,30)25-22(16(2)3)23(28)24-15-17-8-6-5-7-9-17/h5-11,14,16,22,25H,4,12-13,15H2,1-3H3,(H,24,28)
InChIKeyMUDXMQAOHXIPCA-UHFFFAOYSA-N
XLogP2.61
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Isatin Sulfonamide 26
CID 9800285
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-[2-(dimethylamino)ethyl]-4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzene-1-sulfonamide
CID 91895650
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
The IUPAC name of N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide (CID 3241219) is N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide.
What is the SMILES notation for N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
The canonical SMILES for N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide is CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21.
What is the InChIKey of N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
The InChIKey is MUDXMQAOHXIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-4-21(27)26-13-12-18-14-19(10-11-20(18)26)31(29,30)25-22(16(2)3)23(28)24-15-17-8-6-5-7-9-17/h5-11,14,16,22,25H,4,12-13,15H2,1-3H3,(H,24,28).
What are the key properties of N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide has a molecular weight of 443.57 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide is sourced from PubChem (CID 3241219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).