N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide

C16H21ClN2OS — CID 61122791

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide
SMILESNC(=S)C(NC(=O)Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H21ClN2OS/c17-13-9-5-4-8-12(13)10-14(20)19-15(16(18)21)11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H2,18,21)(H,19,20)
InChIKeyWBJHEXZTUZGRLU-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.23
Rot. Bonds5

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide (PubChem CID 61122791) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide
PubChem CID61122791
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide
SMILESNC(=S)C(NC(=O)Cc1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C16H21ClN2OS/c17-13-9-5-4-8-12(13)10-14(20)19-15(16(18)21)11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H2,18,21)(H,19,20)
InChIKeyWBJHEXZTUZGRLU-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.23
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

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
CID 61123402
phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide
CID 61123204
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
CID 61124429
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009
2-[(2-chlorophenyl)methylsulfinyl]-1-cyclohexylethanamine
CID 103290291
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide (CID 61122791) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide is NC(=S)C(NC(=O)Cc1ccccc1Cl)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide?
The InChIKey is WBJHEXZTUZGRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-13-9-5-4-8-12(13)10-14(20)19-15(16(18)21)11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2,(H2,18,21)(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide has a molecular weight of 324.88 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 61122791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).