2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide

C14H16Cl2N2OS — CID 54786307

IUPAC2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2OS/c15-10-5-6-12(11(16)8-10)17-14(20)18-13(19)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,17,18,19,20)
InChIKeyDCBYTWHSLAQJFG-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.39
Rot. Bonds3

About 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide

2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide (PubChem CID 54786307) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
PubChem CID54786307
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
SMILESO=C(CC1CCCC1)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2OS/c15-10-5-6-12(11(16)8-10)17-14(20)18-13(19)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,17,18,19,20)
InChIKeyDCBYTWHSLAQJFG-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide
CID 54786588
N-[(2,4-dichlorophenyl)carbamothioyl]pentanamide
CID 4925626
N-[4-chloro-3-[(2-cyclopentylacetyl)carbamothioylamino]phenyl]butanamide
CID 54786752
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 54786425
2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 54786405
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-cyclohexylpropanamide
CID 54787017
2-(cyclopentylamino)-N-(2,4-dichlorophenyl)acetamide
CID 9465920
N-[[2-chloro-4-[[3-chloro-4-(cyclopentanecarbonylcarbamothioylamino)phenyl]methyl]phenyl]carbamothioyl]cyclopentanecarboxamide
CID 5220233
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide (CID 54786307) is 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide is O=C(CC1CCCC1)NC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
The InChIKey is DCBYTWHSLAQJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c15-10-5-6-12(11(16)8-10)17-14(20)18-13(19)7-9-3-1-2-4-9/h5-6,8-9H,1-4,7H2,(H2,17,18,19,20).
What are the key properties of 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide has a molecular weight of 331.27 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 54786307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).