1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea

C24H25N3O3S2 — CID 16918123

IUPAC1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1c(S(=O)(=O)CCNC(=O)NCc2cccs2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H25N3O3S2/c1-18-23(32(29,30)15-13-25-24(28)26-16-20-10-7-14-31-20)21-11-5-6-12-22(21)27(18)17-19-8-3-2-4-9-19/h2-12,14H,13,15-17H2,1H3,(H2,25,26,28)
InChIKeyUSQQLDOSJIQRFT-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.33
Rot. Bonds8

About 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea

1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 16918123) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID16918123
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea
SMILESCc1c(S(=O)(=O)CCNC(=O)NCc2cccs2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H25N3O3S2/c1-18-23(32(29,30)15-13-25-24(28)26-16-20-10-7-14-31-20)21-11-5-6-12-22(21)27(18)17-19-8-3-2-4-9-19/h2-12,14H,13,15-17H2,1H3,(H2,25,26,28)
InChIKeyUSQQLDOSJIQRFT-UHFFFAOYSA-N
XLogP4.33
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea 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-benzyl-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918161
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 16918119
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 16918126
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2,6-difluorophenyl)urea
CID 16918115
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(2-fluorophenyl)urea
CID 16918109
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 43955416
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea
CID 16918063
1-(3-chlorophenyl)-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918142
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea
CID 16918046
1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 5051672
3-(thiophen-2-ylmethylcarbamoylamino)propanoic acid
CID 16794949
5-[1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 50763304

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea (CID 16918123) is 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea is Cc1c(S(=O)(=O)CCNC(=O)NCc2cccs2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is USQQLDOSJIQRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-18-23(32(29,30)15-13-25-24(28)26-16-20-10-7-14-31-20)21-11-5-6-12-22(21)27(18)17-19-8-3-2-4-9-19/h2-12,14H,13,15-17H2,1H3,(H2,25,26,28).
What are the key properties of 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea?
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 467.62 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 16918123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).