3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide

C21H25N3O3S — CID 51164021

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O3S/c1-15-7-8-20(16(2)13-15)28(26,27)24-12-10-21(25)22-11-9-17-14-23-19-6-4-3-5-18(17)19/h3-8,13-14,23-24H,9-12H2,1-2H3,(H,22,25)
InChIKeyPWUKQUZHWCTICI-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.81
Rot. Bonds8

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 51164021) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID51164021
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C21H25N3O3S/c1-15-7-8-20(16(2)13-15)28(26,27)24-12-10-21(25)22-11-9-17-14-23-19-6-4-3-5-18(17)19/h3-8,13-14,23-24H,9-12H2,1-2H3,(H,22,25)
InChIKeyPWUKQUZHWCTICI-UHFFFAOYSA-N
XLogP2.81
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 18107802
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 33338058
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18107803

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 51164021) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCCc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is PWUKQUZHWCTICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-7-8-20(16(2)13-15)28(26,27)24-12-10-21(25)22-11-9-17-14-23-19-6-4-3-5-18(17)19/h3-8,13-14,23-24H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 399.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 51164021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).