N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide

C17H16Cl2N2O2S — CID 46867960

IUPACN-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide
SMILESNC(=O)c1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c18-13-5-2-6-14(19)15(13)17(23)21-7-8-24-10-11-3-1-4-12(9-11)16(20)22/h1-6,9H,7-8,10H2,(H2,20,22)(H,21,23)
InChIKeyWLAHBBRPKUCWFD-UHFFFAOYSA-N
MW383.30 g/mol
LogP3.76
Rot. Bonds7

About N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide

N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide (PubChem CID 46867960) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide
PubChem CID46867960
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide
SMILESNC(=O)c1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2S/c18-13-5-2-6-14(19)15(13)17(23)21-7-8-24-10-11-3-1-4-12(9-11)16(20)22/h1-6,9H,7-8,10H2,(H2,20,22)(H,21,23)
InChIKeyWLAHBBRPKUCWFD-UHFFFAOYSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

DCCCyB
CID 15951941
2-chloro-N-(2-methyl-1,3-dithian-5-yl)benzamide
CID 2805621
2,6-dichloro-N-(1,4-thiazinan-4-ylcarbonyl)benzamide
CID 2798438
2-chloro-N-(2-phenylsulfanylethyl)benzamide
CID 2284706
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-propylsulfonylcyclohexyl]methyl]benzamide
CID 15951943
2,4-dichloro-N-[[1-(cyclopropylmethyl)-4-ethylsulfonylcyclohexyl]methyl]benzamide
CID 15952325
N-[3-(benzylmethylamino)propyl]-2-chlorobenzamide
CID 41306333
2-chloro-N-[2-[(2-chlorobenzoyl)amino]propyl]benzamide
CID 2898745
N-benzyl-2,4-dichlorobenzamide
CID 220918
N-(2-acetamidoethyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 2579405
N-{2-[(2,4-dichlorobenzyl)thio]ethyl}-4-(4-morpholinylmethyl)benzamide
CID 2914001
2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4846665

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide (CID 46867960) is N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide is NC(=O)c1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide?
The InChIKey is WLAHBBRPKUCWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c18-13-5-2-6-14(19)15(13)17(23)21-7-8-24-10-11-3-1-4-12(9-11)16(20)22/h1-6,9H,7-8,10H2,(H2,20,22)(H,21,23).
What are the key properties of N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide?
N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide has a molecular weight of 383.30 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-carbamoylphenyl)methylsulfanyl]ethyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 46867960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).