1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea

C21H28N2S2 — CID 8727561

IUPAC1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
SMILESC[C@H](Cc1cccs1)N(Cc1ccccc1)C(=S)NC1CCCCC1
InChIInChI=1S/C21H28N2S2/c1-17(15-20-13-8-14-25-20)23(16-18-9-4-2-5-10-18)21(24)22-19-11-6-3-7-12-19/h2,4-5,8-10,13-14,17,19H,3,6-7,11-12,15-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyZRRFDPCJEGCDNY-QGZVFWFLSA-N
MW372.60 g/mol
LogP5.39
Rot. Bonds6

About 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea

1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea (PubChem CID 8727561) has the molecular formula C21H28N2S2 and a molecular weight of 372.60 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
PubChem CID8727561
Molecular FormulaC21H28N2S2
Molecular Weight372.60 g/mol
Exact Mass372.17
IUPAC Name1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
SMILESC[C@H](Cc1cccs1)N(Cc1ccccc1)C(=S)NC1CCCCC1
InChIInChI=1S/C21H28N2S2/c1-17(15-20-13-8-14-25-20)23(16-18-9-4-2-5-10-18)21(24)22-19-11-6-3-7-12-19/h2,4-5,8-10,13-14,17,19H,3,6-7,11-12,15-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyZRRFDPCJEGCDNY-QGZVFWFLSA-N
XLogP5.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
3-cyclopropyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673593
1-benzyl-3-(3,4-dimethylphenyl)-1-[(2S)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8658703
1-benzyl-3-(2,3-dimethylphenyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8658715
3-cycloheptyl-1-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(thiophen-2-ylmethyl)thiourea
CID 29039105
3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448
1-benzyl-3-(3-methoxyphenyl)-1-[(2S)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8658709
1-benzyl-3-cyclopropyl-1-[(1R)-1-cyclopropylethyl]thiourea
CID 7944237
1-benzyl-3-cyclopentyl-1-methylthiourea
CID 116507158
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclopentyl-2-(4-ethoxyphenyl)acetamide
CID 3202675
2-[benzyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 3191114

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea?
The IUPAC name of 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea (CID 8727561) is 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea?
The canonical SMILES for 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea is C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=S)NC1CCCCC1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea?
The InChIKey is ZRRFDPCJEGCDNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2S2/c1-17(15-20-13-8-14-25-20)23(16-18-9-4-2-5-10-18)21(24)22-19-11-6-3-7-12-19/h2,4-5,8-10,13-14,17,19H,3,6-7,11-12,15-16H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea?
1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea has a molecular weight of 372.60 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea is sourced from PubChem (CID 8727561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).