3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide

C18H19ClN2O2S — CID 29331343

IUPAC3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCSc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2S/c1-21(2)18(23)13-6-5-7-14(12-13)20-17(22)10-11-24-16-9-4-3-8-15(16)19/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyNZTPQINUWLBKKC-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.16
Rot. Bonds6

About 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide

3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide (PubChem CID 29331343) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
PubChem CID29331343
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCSc2ccccc2Cl)c1
InChIInChI=1S/C18H19ClN2O2S/c1-21(2)18(23)13-6-5-7-14(12-13)20-17(22)10-11-24-16-9-4-3-8-15(16)19/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyNZTPQINUWLBKKC-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 26240686
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 51891452
3-[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 29331419
[2-(3-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 18293226
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331739
N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 26665399
3-[[2-(2-bromophenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 35309767
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 26679666
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide (CID 29331343) is 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CCSc2ccccc2Cl)c1.
What is the InChIKey of 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
The InChIKey is NZTPQINUWLBKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-21(2)18(23)13-6-5-7-14(12-13)20-17(22)10-11-24-16-9-4-3-8-15(16)19/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide?
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide has a molecular weight of 362.88 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 29331343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).