N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide

C24H31N3O6S — CID 20856570

IUPACN-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3ccc(OC)c(OC)c3)C(C)C)ccc21
InChIInChI=1S/C24H31N3O6S/c1-6-22(28)27-12-11-16-13-18(8-9-19(16)27)34(30,31)26-23(15(2)3)24(29)25-17-7-10-20(32-4)21(14-17)33-5/h7-10,13-15,23,26H,6,11-12H2,1-5H3,(H,25,29)
InChIKeyABAATUBVOACPLP-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.94
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide

N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide (PubChem CID 20856570) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
PubChem CID20856570
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC NameN-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3ccc(OC)c(OC)c3)C(C)C)ccc21
InChIInChI=1S/C24H31N3O6S/c1-6-22(28)27-12-11-16-13-18(8-9-19(16)27)34(30,31)26-23(15(2)3)24(29)25-17-7-10-20(32-4)21(14-17)33-5/h7-10,13-15,23,26H,6,11-12H2,1-5H3,(H,25,29)
InChIKeyABAATUBVOACPLP-UHFFFAOYSA-N
XLogP2.94
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856596
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
N-(3,5-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856607
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-4-methylpentanamide
CID 92661687
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
CID 4105190
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 20856638
N-[1-(3,4-dimethylphenyl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 133184321
(2S)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661843
(2R)-N-cyclopentyl-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 92661844

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide (CID 20856570) is N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide is CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3ccc(OC)c(OC)c3)C(C)C)ccc21.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
The InChIKey is ABAATUBVOACPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-6-22(28)27-12-11-16-13-18(8-9-19(16)27)34(30,31)26-23(15(2)3)24(29)25-17-7-10-20(32-4)21(14-17)33-5/h7-10,13-15,23,26H,6,11-12H2,1-5H3,(H,25,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide?
N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide has a molecular weight of 489.59 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]butanamide is sourced from PubChem (CID 20856570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).