1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C16H25N3O3S — CID 122160044

IUPAC1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCC(C)NS(=O)(=O)CCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)11-10-17-16(20)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15,19H,5,7,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyQQWHCGIBORJUEH-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.69
Rot. Bonds6

About 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 122160044) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID122160044
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCC(C)NS(=O)(=O)CCNC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)11-10-17-16(20)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15,19H,5,7,9-11H2,1-2H3,(H2,17,18,20)
InChIKeyQQWHCGIBORJUEH-UHFFFAOYSA-N
XLogP1.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42954663
1-[2-(methanesulfonamido)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 134006236
2-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 80541261
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
2-methoxy-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 106110085
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-thiophen-2-ylethyl)urea
CID 51302009
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
1-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451567

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 122160044) is 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CC(C)NS(=O)(=O)CCNC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is QQWHCGIBORJUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)19-23(21,22)11-10-17-16(20)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-4,6,8,12,15,19H,5,7,9-11H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 339.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 122160044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).