2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide

C18H29N3O2S2 — CID 46371529

IUPAC2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C18H29N3O2S2/c1-23-11-6-10-19-17(22)13-20-18(24)21(14-16-9-5-12-25-16)15-7-3-2-4-8-15/h5,9,12,15H,2-4,6-8,10-11,13-14H2,1H3,(H,19,22)(H,20,24)
InChIKeyXGUOJWFYKRMORC-UHFFFAOYSA-N
MW383.58 g/mol
LogP2.91
Rot. Bonds9

About 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide

2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide (PubChem CID 46371529) has the molecular formula C18H29N3O2S2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide
PubChem CID46371529
Molecular FormulaC18H29N3O2S2
Molecular Weight383.58 g/mol
Exact Mass383.17
IUPAC Name2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1
InChIInChI=1S/C18H29N3O2S2/c1-23-11-6-10-19-17(22)13-20-18(24)21(14-16-9-5-12-25-16)15-7-3-2-4-8-15/h5,9,12,15H,2-4,6-8,10-11,13-14H2,1H3,(H,19,22)(H,20,24)
InChIKeyXGUOJWFYKRMORC-UHFFFAOYSA-N
XLogP2.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclooctyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)thiourea
CID 17065604
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
3-(5-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 5102192
1-cyclohexyl-3-(4-phenoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 4659898
3-(4-chloro-2-methoxy-5-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 4292972
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
2-[acetyl(cyclohexyl)amino]-N-(3-methoxypropyl)acetamide
CID 113159417
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N'-cyclopropyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556546
3-(3-chloro-2-methylphenyl)-1-cyclohexyl-1-(thiophen-2-ylmethyl)thiourea
CID 3511745
2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62478659
1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115571943

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide (CID 46371529) is 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNC(=S)N(Cc1cccs1)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is XGUOJWFYKRMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S2/c1-23-11-6-10-19-17(22)13-20-18(24)21(14-16-9-5-12-25-16)15-7-3-2-4-8-15/h5,9,12,15H,2-4,6-8,10-11,13-14H2,1H3,(H,19,22)(H,20,24).
What are the key properties of 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide?
2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 383.58 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(thiophen-2-ylmethyl)carbamothioyl]amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 46371529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).