4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide

C21H25N3O3S — CID 33338058

IUPAC4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O3S/c1-16-9-11-18(12-10-16)28(26,27)24-14-13-22-21(25)8-4-5-17-15-23-20-7-3-2-6-19(17)20/h2-3,6-7,9-12,15,23-24H,4-5,8,13-14H2,1H3,(H,22,25)
InChIKeyIXUBSGBXUKLLDO-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.89
Rot. Bonds9

About 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide

4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide (PubChem CID 33338058) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
PubChem CID33338058
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O3S/c1-16-9-11-18(12-10-16)28(26,27)24-14-13-22-21(25)8-4-5-17-15-23-20-7-3-2-6-19(17)20/h2-3,6-7,9-12,15,23-24H,4-5,8,13-14H2,1H3,(H,22,25)
InChIKeyIXUBSGBXUKLLDO-UHFFFAOYSA-N
XLogP2.89
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
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-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
CID 33338052
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide (CID 33338058) is 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
The InChIKey is IXUBSGBXUKLLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-9-11-18(12-10-16)28(26,27)24-14-13-22-21(25)8-4-5-17-15-23-20-7-3-2-6-19(17)20/h2-3,6-7,9-12,15,23-24H,4-5,8,13-14H2,1H3,(H,22,25).
What are the key properties of 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide?
4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide has a molecular weight of 399.52 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide is sourced from PubChem (CID 33338058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).