1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea

C18H25N3OS — CID 134056882

IUPAC1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCN(CC)Cc1ccccc1CNC(=O)NCc1cccs1
InChIInChI=1S/C18H25N3OS/c1-3-21(4-2)14-16-9-6-5-8-15(16)12-19-18(22)20-13-17-10-7-11-23-17/h5-11H,3-4,12-14H2,1-2H3,(H2,19,20,22)
InChIKeyNWOIIRSOXJEJKG-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.59
Rot. Bonds8

About 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea

1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 134056882) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID134056882
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCN(CC)Cc1ccccc1CNC(=O)NCc1cccs1
InChIInChI=1S/C18H25N3OS/c1-3-21(4-2)14-16-9-6-5-8-15(16)12-19-18(22)20-13-17-10-7-11-23-17/h5-11H,3-4,12-14H2,1-2H3,(H2,19,20,22)
InChIKeyNWOIIRSOXJEJKG-UHFFFAOYSA-N
XLogP3.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
2-[(2-cyanophenyl)methyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 8792545
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
(2S)-2-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbutanamide
CID 61259162
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
4-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylbutanamide
CID 80542266

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea (CID 134056882) is 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea is CCN(CC)Cc1ccccc1CNC(=O)NCc1cccs1.
What is the InChIKey of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is NWOIIRSOXJEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-3-21(4-2)14-16-9-6-5-8-15(16)12-19-18(22)20-13-17-10-7-11-23-17/h5-11H,3-4,12-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea?
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 331.49 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 134056882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).