1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea

C15H23N3O3S — CID 46386113

IUPAC1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCCC(C)NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2
InChIInChI=1S/C15H23N3O3S/c1-4-11(3)16-15(19)17-13-7-6-12-8-9-18(14(12)10-13)22(20,21)5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyMKNBWQPWINJURD-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.32
Rot. Bonds5

About 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea

1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea (PubChem CID 46386113) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
PubChem CID46386113
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea
SMILESCCC(C)NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2
InChIInChI=1S/C15H23N3O3S/c1-4-11(3)16-15(19)17-13-7-6-12-8-9-18(14(12)10-13)22(20,21)5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyMKNBWQPWINJURD-UHFFFAOYSA-N
XLogP2.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)-3-(3-methylsulfanylphenyl)urea
CID 46386100
1-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-3-(2-methylpropyl)urea
CID 110623674
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
1-butan-2-yl-3-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]urea
CID 110623609
1-(2-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386154
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
CID 27656037
3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27656057
2-[(1-methyl-2,3-dihydroindol-6-yl)carbamoylamino]propanamide
CID 175745823
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
N-(1-butylsulfonyl-2,3-dihydroindol-6-yl)-2-(4-fluorophenyl)acetamide
CID 112506348

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
The IUPAC name of 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea (CID 46386113) is 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
The canonical SMILES for 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea is CCC(C)NC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CC)CC2.
What is the InChIKey of 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
The InChIKey is MKNBWQPWINJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-11(3)16-15(19)17-13-7-6-12-8-9-18(14(12)10-13)22(20,21)5-2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea?
1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea has a molecular weight of 325.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(1-ethylsulfonyl-2,3-dihydroindol-6-yl)urea is sourced from PubChem (CID 46386113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).