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

C15H19N3OS — CID 51135176

IUPAC1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCN(C)c1cccc(NC(=O)NCc2cccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-18(2)13-7-4-6-12(10-13)17-15(19)16-11-14-8-5-9-20-14/h4-10H,3,11H2,1-2H3,(H2,16,17,19)
InChIKeyTVGMPNFHTVXCQE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.53
Rot. Bonds5

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

1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 51135176) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID51135176
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
SMILESCCN(C)c1cccc(NC(=O)NCc2cccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-18(2)13-7-4-6-12(10-13)17-15(19)16-11-14-8-5-9-20-14/h4-10H,3,11H2,1-2H3,(H2,16,17,19)
InChIKeyTVGMPNFHTVXCQE-UHFFFAOYSA-N
XLogP3.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
1-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 970506
1-(2,6-diethylphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47195993
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335646
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
1-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926234
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8905918
3-[2-[(3-bromophenyl)methyl-ethylamino]ethylcarbamoylamino]-N-(thiophen-2-ylmethyl)benzamide
CID 166381923
N-[3-(thiophen-2-ylmethylamino)phenyl]propanamide
CID 28661932
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(thiophen-2-ylmethyl)urea
CID 51082037
1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 72897833
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea (CID 51135176) is 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea is CCN(C)c1cccc(NC(=O)NCc2cccs2)c1.
What is the InChIKey of 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is TVGMPNFHTVXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-18(2)13-7-4-6-12(10-13)17-15(19)16-11-14-8-5-9-20-14/h4-10H,3,11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea?
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 289.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 51135176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).