1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea

C20H21N3OS — CID 42703373

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
SMILESCc1ccsc1CN(CCc1ccccn1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3OS/c1-16-11-14-25-19(16)15-23(13-10-17-7-5-6-12-21-17)20(24)22-18-8-3-2-4-9-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,22,24)
InChIKeyQFIKCBDTEWKNKO-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.73
Rot. Bonds6

About 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea

1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea (PubChem CID 42703373) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
PubChem CID42703373
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea
SMILESCc1ccsc1CN(CCc1ccccn1)C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3OS/c1-16-11-14-25-19(16)15-23(13-10-17-7-5-6-12-21-17)20(24)22-18-8-3-2-4-9-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,22,24)
InChIKeyQFIKCBDTEWKNKO-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate
CID 4187952
3-(3,5-dimethylphenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23767643
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
1-[(4-tert-butylphenyl)methyl]-3-(3-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42704672
3-(4-cyanophenyl)-1-ethyl-1-(2-pyridin-2-ylethyl)urea
CID 23994401
3-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 1057498
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42697255
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
3-(4-chlorophenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(2-pyridin-2-ylethyl)urea
CID 42697640
ethyl 4-[[2-pyridin-2-ylethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]benzoate
CID 42696075
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42725112

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea (CID 42703373) is 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea is Cc1ccsc1CN(CCc1ccccn1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is QFIKCBDTEWKNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-16-11-14-25-19(16)15-23(13-10-17-7-5-6-12-21-17)20(24)22-18-8-3-2-4-9-18/h2-9,11-12,14H,10,13,15H2,1H3,(H,22,24).
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea?
1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 351.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-phenyl-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 42703373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).