1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea

C23H30N2S — CID 100765123

IUPAC1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
SMILESCc1cccc(CCC2(NC(=S)Nc3cc(C)cc(C)c3)CCCC2)c1
InChIInChI=1S/C23H30N2S/c1-17-7-6-8-20(14-17)9-12-23(10-4-5-11-23)25-22(26)24-21-15-18(2)13-19(3)16-21/h6-8,13-16H,4-5,9-12H2,1-3H3,(H2,24,25,26)
InChIKeySSMDZKMHMGCCLQ-UHFFFAOYSA-N
MW366.57 g/mol
LogP5.84
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea

1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea (PubChem CID 100765123) has the molecular formula C23H30N2S and a molecular weight of 366.57 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
PubChem CID100765123
Molecular FormulaC23H30N2S
Molecular Weight366.57 g/mol
Exact Mass366.21
IUPAC Name1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
SMILESCc1cccc(CCC2(NC(=S)Nc3cc(C)cc(C)c3)CCCC2)c1
InChIInChI=1S/C23H30N2S/c1-17-7-6-8-20(14-17)9-12-23(10-4-5-11-23)25-22(26)24-21-15-18(2)13-19(3)16-21/h6-8,13-16H,4-5,9-12H2,1-3H3,(H2,24,25,26)
InChIKeySSMDZKMHMGCCLQ-UHFFFAOYSA-N
XLogP5.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100767770
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea
CID 100768031
1-(2,4-dimethylphenyl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
CID 100764895
1-(3,4-dimethylphenyl)-3-[1-(2-phenylethyl)cyclopentyl]thiourea
CID 100765224
1-[1-(2-phenylethyl)cyclopentyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100771317
1-(3-methylphenyl)-3-(1-propan-2-ylcyclopentyl)thiourea
CID 100764659
ethyl 2-methyl-3-[[1-(2-phenylethyl)cyclopentyl]carbamothioylamino]benzoate
CID 100770236
1-(3-methylphenyl)-3-[1-(4-methylphenyl)cyclopentyl]thiourea
CID 100764603
1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-(6-methyl-2-pyridinyl)thiourea
CID 100772253
1-[2-(3-methylphenyl)ethyl]cyclopropan-1-ol
CID 62668960
1-[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]-3-pyridin-4-ylthiourea
CID 100772553
ethyl 2-chloro-5-[[1-[2-(4-chlorophenyl)ethyl]cyclopentyl]carbamothioylamino]benzoate
CID 100770772

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea (CID 100765123) is 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea is Cc1cccc(CCC2(NC(=S)Nc3cc(C)cc(C)c3)CCCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea?
The InChIKey is SSMDZKMHMGCCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2S/c1-17-7-6-8-20(14-17)9-12-23(10-4-5-11-23)25-22(26)24-21-15-18(2)13-19(3)16-21/h6-8,13-16H,4-5,9-12H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea?
1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea has a molecular weight of 366.57 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[1-[2-(3-methylphenyl)ethyl]cyclopentyl]thiourea is sourced from PubChem (CID 100765123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).