1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide

C19H26N4O3S2 — CID 18229955

IUPAC1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCCn1c(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)nc(C)c1C
InChIInChI=1S/C19H26N4O3S2/c1-4-5-9-22-14(3)13(2)21-19(22)27-12-18(24)23-10-8-15-11-16(28(20,25)26)6-7-17(15)23/h6-7,11H,4-5,8-10,12H2,1-3H3,(H2,20,25,26)
InChIKeyZMNMRJORVNXLMH-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.63
Rot. Bonds7

About 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 18229955) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID18229955
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC Name1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCCn1c(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)nc(C)c1C
InChIInChI=1S/C19H26N4O3S2/c1-4-5-9-22-14(3)13(2)21-19(22)27-12-18(24)23-10-8-15-11-16(28(20,25)26)6-7-17(15)23/h6-7,11H,4-5,8-10,12H2,1-3H3,(H2,20,25,26)
InChIKeyZMNMRJORVNXLMH-UHFFFAOYSA-N
XLogP2.63
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide 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

1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 18269767
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
4-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 36835714
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55864125
1-butyl-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide
CID 7897202
1-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 4812089

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide (CID 18229955) is 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide is CCCCn1c(SCC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)nc(C)c1C.
What is the InChIKey of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ZMNMRJORVNXLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-4-5-9-22-14(3)13(2)21-19(22)27-12-18(24)23-10-8-15-11-16(28(20,25)26)6-7-17(15)23/h6-7,11H,4-5,8-10,12H2,1-3H3,(H2,20,25,26).
What are the key properties of 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 422.58 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 18229955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).