1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea

C19H18ClN3OS — CID 86999645

IUPAC1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NC(c1ccc(Cl)cc1)c1cccs1)c1ccncc1
InChIInChI=1S/C19H18ClN3OS/c1-13(14-8-10-21-11-9-14)22-19(24)23-18(17-3-2-12-25-17)15-4-6-16(20)7-5-15/h2-13,18H,1H3,(H2,22,23,24)
InChIKeyWCKWNPMSUIBQCO-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.95
Rot. Bonds5

About 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea

1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea (PubChem CID 86999645) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
PubChem CID86999645
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NC(c1ccc(Cl)cc1)c1cccs1)c1ccncc1
InChIInChI=1S/C19H18ClN3OS/c1-13(14-8-10-21-11-9-14)22-19(24)23-18(17-3-2-12-25-17)15-4-6-16(20)7-5-15/h2-13,18H,1H3,(H2,22,23,24)
InChIKeyWCKWNPMSUIBQCO-UHFFFAOYSA-N
XLogP4.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051553
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(3-hydroxybutyl)urea
CID 111337234
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]-3-pyridin-2-ylurea
CID 94129459
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 51932156
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea (CID 86999645) is 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)NC(c1ccc(Cl)cc1)c1cccs1)c1ccncc1.
What is the InChIKey of 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is WCKWNPMSUIBQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-13(14-8-10-21-11-9-14)22-19(24)23-18(17-3-2-12-25-17)15-4-6-16(20)7-5-15/h2-13,18H,1H3,(H2,22,23,24).
What are the key properties of 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea?
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 371.89 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 86999645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).