1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea

C20H23N3O3S — CID 20974765

IUPAC1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
SMILESO=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H23N3O3S/c24-20(21-16-6-4-5-7-16)22-17-10-11-19-15(14-17)12-13-23(19)27(25,26)18-8-2-1-3-9-18/h1-3,8-11,14,16H,4-7,12-13H2,(H2,21,22,24)
InChIKeyDVQKMRZTNAQAEF-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.50
Rot. Bonds4

About 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea

1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea (PubChem CID 20974765) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
PubChem CID20974765
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea
SMILESO=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C20H23N3O3S/c24-20(21-16-6-4-5-7-16)22-17-10-11-19-15(14-17)12-13-23(19)27(25,26)18-8-2-1-3-9-18/h1-3,8-11,14,16H,4-7,12-13H2,(H2,21,22,24)
InChIKeyDVQKMRZTNAQAEF-UHFFFAOYSA-N
XLogP3.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 110303929
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3,4-dimethoxyphenyl)urea
CID 46389771
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-(3-chloro-2-methylphenyl)urea
CID 46389785
1-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-benzylurea
CID 30374124
1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
ethyl 2-[[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]carbamoylamino]benzoate
CID 46389774
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(oxan-4-yl)urea
CID 110623289
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chloro-2,2-dimethylpropanamide
CID 7657700
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 110314101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea?
The IUPAC name of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea (CID 20974765) is 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea?
The canonical SMILES for 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea is O=C(Nc1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1)NC1CCCC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea?
The InChIKey is DVQKMRZTNAQAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-20(21-16-6-4-5-7-16)22-17-10-11-19-15(14-17)12-13-23(19)27(25,26)18-8-2-1-3-9-18/h1-3,8-11,14,16H,4-7,12-13H2,(H2,21,22,24).
What are the key properties of 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea?
1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea has a molecular weight of 385.49 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-3-cyclopentylurea is sourced from PubChem (CID 20974765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).