1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea

C16H19N3O4S — CID 2324045

IUPAC1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea
SMILESCC(C)N(C(=O)NC(=O)Nc1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C16H19N3O4S/c1-11(2)19(24(3,22)23)16(21)18-15(20)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,17,18,20,21)
InChIKeyXCTGEOWBHLALDJ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.75
Rot. Bonds3

About 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea

1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea (PubChem CID 2324045) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea
PubChem CID2324045
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea
SMILESCC(C)N(C(=O)NC(=O)Nc1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C16H19N3O4S/c1-11(2)19(24(3,22)23)16(21)18-15(20)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,17,18,20,21)
InChIKeyXCTGEOWBHLALDJ-UHFFFAOYSA-N
XLogP2.75
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-Cyclohexyl-3-naphthalen-1-ylurea
CID 830951
1-(1-Naphthyl)-3-propylurea
CID 5129202
1,1-Dimethyl-3-(1-naphthyl)urea
CID 303001
2-Methyl-4-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione
CID 6539148
1-Naphthalen-1-yl-3-(1-propylpiperidin-4-yl)urea
CID 6469170
1-(3-Methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 17282138
1-Naphthalen-1-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 2794033
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-naphthalen-2-ylurea
CID 3152358
4-Methyl-2-(1-naphthyl)-1,2,4-thiadiazolidine-3,5-dione
CID 2826318

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea?
The IUPAC name of 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea (CID 2324045) is 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea?
The canonical SMILES for 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea is CC(C)N(C(=O)NC(=O)Nc1cccc2ccccc12)S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea?
The InChIKey is XCTGEOWBHLALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(2)19(24(3,22)23)16(21)18-15(20)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,17,18,20,21).
What are the key properties of 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea?
1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea has a molecular weight of 349.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(naphthalen-1-ylcarbamoyl)-1-propan-2-ylurea is sourced from PubChem (CID 2324045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).