1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide

C20H25N3O5S2 — CID 43053461

IUPAC1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1
InChIInChI=1S/C20H25N3O5S2/c1-4-11-21-29(25,26)18-7-5-17(6-8-18)22-30(27,28)19-9-10-20-16(13-19)12-14(2)23(20)15(3)24/h5-10,13-14,21-22H,4,11-12H2,1-3H3
InChIKeyPAVRQZACLCXECL-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.47
Rot. Bonds7

About 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 43053461) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID43053461
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1
InChIInChI=1S/C20H25N3O5S2/c1-4-11-21-29(25,26)18-7-5-17(6-8-18)22-30(27,28)19-9-10-20-16(13-19)12-14(2)23(20)15(3)24/h5-10,13-14,21-22H,4,11-12H2,1-3H3
InChIKeyPAVRQZACLCXECL-UHFFFAOYSA-N
XLogP2.47
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55511773
1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide (CID 43053461) is 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide is CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)cc1.
What is the InChIKey of 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PAVRQZACLCXECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-4-11-21-29(25,26)18-7-5-17(6-8-18)22-30(27,28)19-9-10-20-16(13-19)12-14(2)23(20)15(3)24/h5-10,13-14,21-22H,4,11-12H2,1-3H3.
What are the key properties of 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 451.57 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43053461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).