1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea

C17H16N2OS — CID 17467272

IUPAC1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-19(11-13-9-10-21-12-13)17(20)18-16-8-4-6-14-5-2-3-7-15(14)16/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyJYVBADHJGQKQDR-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.57
Rot. Bonds3

About 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea

1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea (PubChem CID 17467272) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
PubChem CID17467272
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea
SMILESCN(Cc1ccsc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-19(11-13-9-10-21-12-13)17(20)18-16-8-4-6-14-5-2-3-7-15(14)16/h2-10,12H,11H2,1H3,(H,18,20)
InChIKeyJYVBADHJGQKQDR-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
CID 51080423
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
3-bromo-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]benzoic acid
CID 63113712
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
CID 47033602
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 43528496
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]-1-(thiophen-3-ylmethyl)urea
CID 61340217
4-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 61196988
1-methyl-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 47050439
3-butyl-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 115574006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea (CID 17467272) is 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea is CN(Cc1ccsc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea?
The InChIKey is JYVBADHJGQKQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-19(11-13-9-10-21-12-13)17(20)18-16-8-4-6-14-5-2-3-7-15(14)16/h2-10,12H,11H2,1H3,(H,18,20).
What are the key properties of 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea?
1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea has a molecular weight of 296.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-1-yl-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 17467272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).