N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide

C15H22N2O2S — CID 55443480

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CSCC(C)C)cc1C
InChIInChI=1S/C15H22N2O2S/c1-10(2)8-20-9-14(18)17-15(19)16-13-6-5-11(3)12(4)7-13/h5-7,10H,8-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyNAKAYLHRYHDPBJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.34
Rot. Bonds5

About N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide (PubChem CID 55443480) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide
PubChem CID55443480
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CSCC(C)C)cc1C
InChIInChI=1S/C15H22N2O2S/c1-10(2)8-20-9-14(18)17-15(19)16-13-6-5-11(3)12(4)7-13/h5-7,10H,8-9H2,1-4H3,(H2,16,17,18,19)
InChIKeyNAKAYLHRYHDPBJ-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 79683189
N-[(3,4-dimethylphenyl)carbamoyl]-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9475840
N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779393
N-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779390
2-(azocan-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9460285
propan-2-yl 4-[[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732140
N-[(3,4-dimethylphenyl)carbamoyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9445190
2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetate
CID 6952062
1-(3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412803
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
N-(3,4-dimethylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 113244448
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide (CID 55443480) is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide is Cc1ccc(NC(=O)NC(=O)CSCC(C)C)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide?
The InChIKey is NAKAYLHRYHDPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(2)8-20-9-14(18)17-15(19)16-13-6-5-11(3)12(4)7-13/h5-7,10H,8-9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide is sourced from PubChem (CID 55443480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).