1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea

C19H24N2OS — CID 52547445

IUPAC1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C19H24N2OS/c1-2-21(14-17-10-6-13-23-17)18(22)20-15-19(11-7-12-19)16-8-4-3-5-9-16/h3-6,8-10,13H,2,7,11-12,14-15H2,1H3,(H,20,22)
InChIKeyJSUQEEJLPUYPDP-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.40
Rot. Bonds6

About 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea

1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea (PubChem CID 52547445) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea
PubChem CID52547445
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea
SMILESCCN(Cc1cccs1)C(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C19H24N2OS/c1-2-21(14-17-10-6-13-23-17)18(22)20-15-19(11-7-12-19)16-8-4-3-5-9-16/h3-6,8-10,13H,2,7,11-12,14-15H2,1H3,(H,20,22)
InChIKeyJSUQEEJLPUYPDP-UHFFFAOYSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292955
1-ethyl-3-[(1-phenylcyclopropyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111260313
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
1-ethyl-3-(oxolan-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 113322013
2-(cyclopropylmethylamino)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119689999
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
3-[(4-cyclohexyloxyphenyl)methyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 60614756
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61437379
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
CID 61438232
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128278
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea (CID 52547445) is 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea is CCN(Cc1cccs1)C(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea?
The InChIKey is JSUQEEJLPUYPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-2-21(14-17-10-6-13-23-17)18(22)20-15-19(11-7-12-19)16-8-4-3-5-9-16/h3-6,8-10,13H,2,7,11-12,14-15H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea?
1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea has a molecular weight of 328.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-phenylcyclobutyl)methyl]-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 52547445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).