N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

C15H23N3O3S — CID 34918587

IUPACN-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESCCCCNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C
InChIInChI=1S/C15H23N3O3S/c1-3-4-7-17-15(19)10-18-11(2)8-12-9-13(22(16,20)21)5-6-14(12)18/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
InChIKeyKIVUQZFHTSRTIR-NSHDSACASA-N
MW325.43 g/mol
LogP1.00
Rot. Bonds6

About N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide

N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (PubChem CID 34918587) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
PubChem CID34918587
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
SMILESCCCCNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C
InChIInChI=1S/C15H23N3O3S/c1-3-4-7-17-15(19)10-18-11(2)8-12-9-13(22(16,20)21)5-6-14(12)18/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
InChIKeyKIVUQZFHTSRTIR-NSHDSACASA-N
XLogP1.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.00
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-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 9468005
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 34919205
N-(4-chloro-2-methylphenyl)-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 40939764
N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-2-[(2R)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678027
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide
CID 98678385
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
(2S)-2-methyl-1-(3-phenylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 26034686
(2S)-1-[(2-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918768
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
(2R)-N-butyl-1-ethylsulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92670891
(2S)-1-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918862

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide (CID 34918587) is N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is CCCCNC(=O)CN1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C.
What is the InChIKey of N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
The InChIKey is KIVUQZFHTSRTIR-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-3-4-7-17-15(19)10-18-11(2)8-12-9-13(22(16,20)21)5-6-14(12)18/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1.
What are the key properties of N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide?
N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2S)-2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl]acetamide is sourced from PubChem (CID 34918587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).