N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide

C13H17ClN2O2S — CID 5223865

IUPACN-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-13(2,3)16-12(18)15-11(17)8-19-10-7-5-4-6-9(10)14/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyVWCKRKAEOVQCHU-UHFFFAOYSA-N
MW300.81 g/mol
LogP3.06
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide

N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide (PubChem CID 5223865) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
PubChem CID5223865
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2S/c1-13(2,3)16-12(18)15-11(17)8-19-10-7-5-4-6-9(10)14/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyVWCKRKAEOVQCHU-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 5155672
2-(2-chlorophenyl)sulfanyl-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870141
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926
3-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261702
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119607296
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170018
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-2-methylpentanoate
CID 43423735
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590387
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(tert-butylcarbamoyl)-2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3896518
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide (CID 5223865) is N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide is CC(C)(C)NC(=O)NC(=O)CSc1ccccc1Cl.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide?
The InChIKey is VWCKRKAEOVQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-13(2,3)16-12(18)15-11(17)8-19-10-7-5-4-6-9(10)14/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide?
N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide has a molecular weight of 300.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 5223865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).