N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide

C22H27N3O4S — CID 100765135

IUPACN-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C22H27N3O4S/c1-3-5-13-23-22(27)18-8-6-7-9-19(18)24-30(28,29)17-10-11-20-16(15-17)12-14-25(20)21(26)4-2/h6-11,15,24H,3-5,12-14H2,1-2H3,(H,23,27)
InChIKeyIBMCKHNVHDXZQT-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.32
Rot. Bonds8

About N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide

N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide (PubChem CID 100765135) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide
PubChem CID100765135
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C22H27N3O4S/c1-3-5-13-23-22(27)18-8-6-7-9-19(18)24-30(28,29)17-10-11-20-16(15-17)12-14-25(20)21(26)4-2/h6-11,15,24H,3-5,12-14H2,1-2H3,(H,23,27)
InChIKeyIBMCKHNVHDXZQT-UHFFFAOYSA-N
XLogP3.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
5-[(2-ethoxyphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058945
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100542888
N-butyl-2-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100719107
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 24510031
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
2-ethoxy-N-[4-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]benzamide
CID 55873308
5-[(2,6-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058911
N-[1-(3,4-dimethylphenyl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 133184321

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide?
The IUPAC name of N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide (CID 100765135) is N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide?
The canonical SMILES for N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide is CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC.
What is the InChIKey of N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide?
The InChIKey is IBMCKHNVHDXZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-5-13-23-22(27)18-8-6-7-9-19(18)24-30(28,29)17-10-11-20-16(15-17)12-14-25(20)21(26)4-2/h6-11,15,24H,3-5,12-14H2,1-2H3,(H,23,27).
What are the key properties of N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide?
N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide has a molecular weight of 429.54 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 100765135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).