1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea

C23H23N3O5S — CID 46389771

IUPAC1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H23N3O5S/c1-30-21-11-9-18(15-22(21)31-2)25-23(27)24-17-8-10-20-16(14-17)12-13-26(20)32(28,29)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H2,24,25,27)
InChIKeyPKPULGLANCYYMF-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.10
Rot. Bonds6

About 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea

1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea (PubChem CID 46389771) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
PubChem CID46389771
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C23H23N3O5S/c1-30-21-11-9-18(15-22(21)31-2)25-23(27)24-17-8-10-20-16(14-17)12-13-26(20)32(28,29)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H2,24,25,27)
InChIKeyPKPULGLANCYYMF-UHFFFAOYSA-N
XLogP4.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3-chloro-2-methylphenyl)urea
CID 46389785
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
CID 20974765
ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate
CID 46389774
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
3,4-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16825758
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
CID 30374124
1-(2,5-dimethylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]urea
CID 46389735
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
1-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 46586257
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea (CID 46389771) is 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is PKPULGLANCYYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-30-21-11-9-18(15-22(21)31-2)25-23(27)24-17-8-10-20-16(14-17)12-13-26(20)32(28,29)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea?
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 453.52 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 46389771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).