1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea

C20H25N3O3S — CID 166214760

IUPAC1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-5-2-3-6-18(16)11-12-21-20(24)22-15-17-7-9-19(10-8-17)23-13-4-14-27(23,25)26/h2-3,5-10H,4,11-15H2,1H3,(H2,21,22,24)
InChIKeyQWBDWSSQLQJPRJ-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.58
Rot. Bonds6

About 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea

1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 166214760) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID166214760
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-16-5-2-3-6-18(16)11-12-21-20(24)22-15-17-7-9-19(10-8-17)23-13-4-14-27(23,25)26/h2-3,5-10H,4,11-15H2,1H3,(H2,21,22,24)
InChIKeyQWBDWSSQLQJPRJ-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea with MolForge

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Related Compounds

N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 166215063
4-[[2-(2-methylphenyl)ethylcarbamoylamino]methyl]benzoic acid
CID 108899701
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxyphenyl]-3-[(4-fluorophenyl)methyl]urea
CID 30375278
1-[(2-methylphenyl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 47133695
3-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 87035677
1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(2-ethoxyphenyl)urea
CID 30375036
1-[2-(2-fluorophenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 51290890
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-(2-phenylethyl)oxamide
CID 7584678

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea (CID 166214760) is 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is QWBDWSSQLQJPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16-5-2-3-6-18(16)11-12-21-20(24)22-15-17-7-9-19(10-8-17)23-13-4-14-27(23,25)26/h2-3,5-10H,4,11-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea?
1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 387.51 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 166214760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).