1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea

C17H19F2N3O2S — CID 60603061

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea
SMILESCCSc1ccc(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C17H19F2N3O2S/c1-3-25-15-9-6-13(10-20-15)21-17(23)22(2)11-12-4-7-14(8-5-12)24-16(18)19/h4-10,16H,3,11H2,1-2H3,(H,21,23)
InChIKeyZKMAVTCRBIBDQN-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.46
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea (PubChem CID 60603061) has the molecular formula C17H19F2N3O2S and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea
PubChem CID60603061
Molecular FormulaC17H19F2N3O2S
Molecular Weight367.42 g/mol
Exact Mass367.12
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea
SMILESCCSc1ccc(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)cn1
InChIInChI=1S/C17H19F2N3O2S/c1-3-25-15-9-6-13(10-20-15)21-17(23)22(2)11-12-4-7-14(8-5-12)24-16(18)19/h4-10,16H,3,11H2,1-2H3,(H,21,23)
InChIKeyZKMAVTCRBIBDQN-UHFFFAOYSA-N
XLogP4.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
3-[4-(4-cyanophenoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60591675
N-[6-(4-chlorophenoxy)-3-pyridinyl]-N'-[[4-(difluoromethoxy)phenyl]methyl]-N'-methyloxamide
CID 71937273
5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
CID 49285325
3-[4-(difluoromethoxy)phenyl]-1-[(4-ethylphenyl)methyl]-1-methylthiourea
CID 8680660
4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide
CID 56548251
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86916189
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[3-(dimethylsulfamoyl)phenyl]-1-methylurea
CID 55696852
N-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-2-pyridinyl)sulfanyl]acetamide
CID 134007817
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60600941
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
1-benzyl-3-[4-(difluoromethoxy)phenyl]-1-methylthiourea
CID 2455590

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea (CID 60603061) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea is CCSc1ccc(NC(=O)N(C)Cc2ccc(OC(F)F)cc2)cn1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea?
The InChIKey is ZKMAVTCRBIBDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2S/c1-3-25-15-9-6-13(10-20-15)21-17(23)22(2)11-12-4-7-14(8-5-12)24-16(18)19/h4-10,16H,3,11H2,1-2H3,(H,21,23).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea has a molecular weight of 367.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea is sourced from PubChem (CID 60603061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).