1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea

C17H14ClN3OS — CID 94129459

IUPAC1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@H](c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H14ClN3OS/c18-13-8-6-12(7-9-13)16(14-4-3-11-23-14)21-17(22)20-15-5-1-2-10-19-15/h1-11,16H,(H2,19,20,21,22)/t16-/m1/s1
InChIKeyCAGRJAAKITVHQL-MRXNPFEDSA-N
MW343.84 g/mol
LogP4.71
Rot. Bonds4

About 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea

1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea (PubChem CID 94129459) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
PubChem CID94129459
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)N[C@H](c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C17H14ClN3OS/c18-13-8-6-12(7-9-13)16(14-4-3-11-23-14)21-17(22)20-15-5-1-2-10-19-15/h1-11,16H,(H2,19,20,21,22)/t16-/m1/s1
InChIKeyCAGRJAAKITVHQL-MRXNPFEDSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea 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

1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
CID 86999645
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(3-hydroxybutyl)urea
CID 111337234
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 110491991
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 55798665
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884420
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55751667

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea (CID 94129459) is 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea is O=C(Nc1ccccn1)N[C@H](c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea?
The InChIKey is CAGRJAAKITVHQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-13-8-6-12(7-9-13)16(14-4-3-11-23-14)21-17(22)20-15-5-1-2-10-19-15/h1-11,16H,(H2,19,20,21,22)/t16-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea?
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea has a molecular weight of 343.84 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 94129459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).