1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide

C20H25N3O3S — CID 112985170

IUPAC1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C20H25N3O3S/c1-14(2)10-11-21-16-4-6-17(7-5-16)22-27(25,26)18-8-9-19-15(12-18)13-20(24)23(19)3/h4-9,12,14,21-22H,10-11,13H2,1-3H3
InChIKeyUQUVCRFFJMURNM-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.46
Rot. Bonds7

About 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide

1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide (PubChem CID 112985170) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
PubChem CID112985170
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1
InChIInChI=1S/C20H25N3O3S/c1-14(2)10-11-21-16-4-6-17(7-5-16)22-27(25,26)18-8-9-19-15(12-18)13-20(24)23(19)3/h4-9,12,14,21-22H,10-11,13H2,1-3H3
InChIKeyUQUVCRFFJMURNM-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 24602618
N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113009560
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110601933
1-methyl-N-(4-methyl-2-piperidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403443

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide (CID 112985170) is 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide is CC(C)CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1.
What is the InChIKey of 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is UQUVCRFFJMURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14(2)10-11-21-16-4-6-17(7-5-16)22-27(25,26)18-8-9-19-15(12-18)13-20(24)23(19)3/h4-9,12,14,21-22H,10-11,13H2,1-3H3.
What are the key properties of 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide?
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 112985170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).