N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

C28H31N3O4S — CID 20856638

IUPACN-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ccc(CC)cc3)ccc21
InChIInChI=1S/C28H31N3O4S/c1-3-20-10-12-23(13-11-20)29-28(33)25(18-21-8-6-5-7-9-21)30-36(34,35)24-14-15-26-22(19-24)16-17-31(26)27(32)4-2/h5-15,19,25,30H,3-4,16-18H2,1-2H3,(H,29,33)
InChIKeyXHLVQLKKOXNQOS-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.08
Rot. Bonds9

About N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (PubChem CID 20856638) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
PubChem CID20856638
Molecular FormulaC28H31N3O4S
Molecular Weight505.64 g/mol
Exact Mass505.20
IUPAC NameN-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ccc(CC)cc3)ccc21
InChIInChI=1S/C28H31N3O4S/c1-3-20-10-12-23(13-11-20)29-28(33)25(18-21-8-6-5-7-9-21)30-36(34,35)24-14-15-26-22(19-24)16-17-31(26)27(32)4-2/h5-15,19,25,30H,3-4,16-18H2,1-2H3,(H,29,33)
InChIKeyXHLVQLKKOXNQOS-UHFFFAOYSA-N
XLogP4.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 20856180
(2R)-N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 124772413
3-[[(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-phenylpropanoyl]amino]benzoic acid
CID 92661593
4-methyl-N-(1-phenylethyl)-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856615
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-pyridin-2-ylpentanamide
CID 126458274
N-(3,4-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856596
N-(4-ethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3913906
N-(3,5-dimethoxyphenyl)-4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanamide
CID 20856607
4-methyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]pentanoic acid
CID 4105190
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-2-methylphenyl)-3-phenylpropanamide
CID 92661556
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-ethylphenyl)-4-methylpentanamide
CID 92661675

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (CID 20856638) is N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)Nc3ccc(CC)cc3)ccc21.
What is the InChIKey of N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The InChIKey is XHLVQLKKOXNQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c1-3-20-10-12-23(13-11-20)29-28(33)25(18-21-8-6-5-7-9-21)30-36(34,35)24-14-15-26-22(19-24)16-17-31(26)27(32)4-2/h5-15,19,25,30H,3-4,16-18H2,1-2H3,(H,29,33).
What are the key properties of N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide has a molecular weight of 505.64 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-phenyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is sourced from PubChem (CID 20856638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).