3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea

C18H16ClN3OS — CID 17013664

IUPAC3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea
SMILESCc1cccnc1N(Cc1cccs1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3OS/c1-13-5-3-9-20-17(13)22(12-16-8-4-10-24-16)18(23)21-15-7-2-6-14(19)11-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyRHRCJGONJLANEP-UHFFFAOYSA-N
MW357.87 g/mol
LogP5.34
Rot. Bonds4

About 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea

3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 17013664) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID17013664
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea
SMILESCc1cccnc1N(Cc1cccs1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H16ClN3OS/c1-13-5-3-9-20-17(13)22(12-16-8-4-10-24-16)18(23)21-15-7-2-6-14(19)11-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyRHRCJGONJLANEP-UHFFFAOYSA-N
XLogP5.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.87
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583396
3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35572978
3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344672
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
3-(3-chlorophenyl)-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 1467605
3-chloro-N-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17014005
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
2-(3-chlorophenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012479
3-chloro-N-(3-chlorobenzoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 1371682
N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1028772

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea (CID 17013664) is 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea is Cc1cccnc1N(Cc1cccs1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is RHRCJGONJLANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-13-5-3-9-20-17(13)22(12-16-8-4-10-24-16)18(23)21-15-7-2-6-14(19)11-15/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea?
3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 357.87 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 17013664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).