1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea

C21H25N3O3S — CID 16918063

IUPAC1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea
SMILESCc1c(S(=O)(=O)CCNC(=O)NCCc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C21H25N3O3S/c1-16-20(18-10-6-7-11-19(18)24(16)2)28(26,27)15-14-23-21(25)22-13-12-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3,(H2,22,23,25)
InChIKeyRKZQZVOWNSHUCX-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.80
Rot. Bonds7

About 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea

1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea (PubChem CID 16918063) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea
PubChem CID16918063
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea
SMILESCc1c(S(=O)(=O)CCNC(=O)NCCc2ccccc2)c2ccccc2n1C
InChIInChI=1S/C21H25N3O3S/c1-16-20(18-10-6-7-11-19(18)24(16)2)28(26,27)15-14-23-21(25)22-13-12-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3,(H2,22,23,25)
InChIKeyRKZQZVOWNSHUCX-UHFFFAOYSA-N
XLogP2.80
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-phenylurea
CID 16918046
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 16918126
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 16918081
1-(3,5-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918083
1-benzyl-3-[2-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]sulfonylethyl]urea
CID 16918161
1-(2,4-dimethoxyphenyl)-3-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]urea
CID 16918061
2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302
1-[2-(1-benzyl-2-methylindol-3-yl)sulfonylethyl]-3-(thiophen-2-ylmethyl)urea
CID 16918123
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-fluorophenyl)urea
CID 16918109
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-(3,4,5-triethoxyphenyl)urea
CID 43955416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea (CID 16918063) is 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea is Cc1c(S(=O)(=O)CCNC(=O)NCCc2ccccc2)c2ccccc2n1C.
What is the InChIKey of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea?
The InChIKey is RKZQZVOWNSHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-20(18-10-6-7-11-19(18)24(16)2)28(26,27)15-14-23-21(25)22-13-12-17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea?
1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea has a molecular weight of 399.52 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-dimethylindol-3-yl)sulfonylethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 16918063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).