1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea

C16H18N2OS — CID 146078739

IUPAC1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
SMILESO=C(NCc1ccccc1)NCC1(c2ccsc2)CC1
InChIInChI=1S/C16H18N2OS/c19-15(17-10-13-4-2-1-3-5-13)18-12-16(7-8-16)14-6-9-20-11-14/h1-6,9,11H,7-8,10,12H2,(H2,17,18,19)
InChIKeyXUEKZEVVDCHTAO-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.28
Rot. Bonds5

About 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea

1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea (PubChem CID 146078739) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
PubChem CID146078739
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea
SMILESO=C(NCc1ccccc1)NCC1(c2ccsc2)CC1
InChIInChI=1S/C16H18N2OS/c19-15(17-10-13-4-2-1-3-5-13)18-12-16(7-8-16)14-6-9-20-11-14/h1-6,9,11H,7-8,10,12H2,(H2,17,18,19)
InChIKeyXUEKZEVVDCHTAO-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenylmethoxy-N-[(1-thiophen-3-ylcyclopropyl)methyl]acetamide
CID 146078652
1-[(1-thiophen-3-ylcyclopentyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 86263808
2-phenyl-N-[(1-thiophen-3-ylcyclopropyl)methyl]ethanesulfonamide
CID 146078875
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 111450384
3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
CID 146079134
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
N-[(1-thiophen-3-ylcyclopentyl)methyl]furan-3-carboxamide
CID 86263777
(E)-N-[(1-phenylcyclobutyl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 24614536
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 113214301
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea (CID 146078739) is 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea is O=C(NCc1ccccc1)NCC1(c2ccsc2)CC1.
What is the InChIKey of 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea?
The InChIKey is XUEKZEVVDCHTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-15(17-10-13-4-2-1-3-5-13)18-12-16(7-8-16)14-6-9-20-11-14/h1-6,9,11H,7-8,10,12H2,(H2,17,18,19).
What are the key properties of 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea?
1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea has a molecular weight of 286.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(1-thiophen-3-ylcyclopropyl)methyl]urea is sourced from PubChem (CID 146078739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).