1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea

C19H19N3OS — CID 95318328

IUPAC1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)N[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C19H19N3OS/c23-19(21-13-10-17-7-4-14-24-17)22-18(15-5-2-1-3-6-15)16-8-11-20-12-9-16/h1-9,11-12,14,18H,10,13H2,(H2,21,22,23)/t18-/m0/s1
InChIKeyRMVHLMAORQHJFQ-SFHVURJKSA-N
MW337.45 g/mol
LogP3.77
Rot. Bonds6

About 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea

1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 95318328) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID95318328
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)N[C@@H](c1ccccc1)c1ccncc1
InChIInChI=1S/C19H19N3OS/c23-19(21-13-10-17-7-4-14-24-17)22-18(15-5-2-1-3-6-15)16-8-11-20-12-9-16/h1-9,11-12,14,18H,10,13H2,(H2,21,22,23)/t18-/m0/s1
InChIKeyRMVHLMAORQHJFQ-SFHVURJKSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61189678
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735
1-benzhydryl-3-(2-pyrimidin-5-ylethyl)urea
CID 91813352
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
1-methyl-3-[phenyl(pyridin-4-yl)methyl]urea;hydrochloride
CID 24847582
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
3-(benzhydrylcarbamoylamino)propanoic acid
CID 108867375
1-benzhydryl-3-[2-(furan-3-yl)ethyl]urea
CID 71798567
2-(2-pyridin-4-ylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285271
1-benzhydryl-3-[2-(4-methylphenyl)ethyl]urea
CID 108867607
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea (CID 95318328) is 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)N[C@@H](c1ccccc1)c1ccncc1.
What is the InChIKey of 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is RMVHLMAORQHJFQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19N3OS/c23-19(21-13-10-17-7-4-14-24-17)22-18(15-5-2-1-3-6-15)16-8-11-20-12-9-16/h1-9,11-12,14,18H,10,13H2,(H2,21,22,23)/t18-/m0/s1.
What are the key properties of 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea?
1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 337.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-phenyl(pyridin-4-yl)methyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 95318328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).