1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C19H23N3O3S — CID 47032068

IUPAC1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C19H23N3O3S/c1-22(2)26(24,25)16-10-6-9-15(13-16)20-19(23)21-18-12-5-8-14-7-3-4-11-17(14)18/h3-4,6-7,9-11,13,18H,5,8,12H2,1-2H3,(H2,20,21,23)
InChIKeyHLTURLGCQDGOPA-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.14
Rot. Bonds4

About 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 47032068) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID47032068
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C19H23N3O3S/c1-22(2)26(24,25)16-10-6-9-15(13-16)20-19(23)21-18-12-5-8-14-7-3-4-11-17(14)18/h3-4,6-7,9-11,13,18H,5,8,12H2,1-2H3,(H2,20,21,23)
InChIKeyHLTURLGCQDGOPA-UHFFFAOYSA-N
XLogP3.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
1-[4-(dimethylamino)phenyl]-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)urea;hydrochloride
CID 19936132
1-[3-(dimethylamino)-2-methylphenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126777919
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716
1-(2,3-dihydro-1H-inden-1-yl)-3-(3-methylsulfanylphenyl)urea
CID 4508008
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
CID 8660201
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 11914394
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724718

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 47032068) is 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is CN(C)S(=O)(=O)c1cccc(NC(=O)NC2CCCc3ccccc32)c1.
What is the InChIKey of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is HLTURLGCQDGOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-22(2)26(24,25)16-10-6-9-15(13-16)20-19(23)21-18-12-5-8-14-7-3-4-11-17(14)18/h3-4,6-7,9-11,13,18H,5,8,12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 373.48 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylsulfamoyl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 47032068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).