N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide

C16H16ClNOS — CID 4631406

IUPACN-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-3-20-15-7-5-4-6-13(15)16(19)18-12-9-8-11(2)14(17)10-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyCIMAHARZXDPJDH-UHFFFAOYSA-N
MW305.83 g/mol
LogP5.01
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide

N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide (PubChem CID 4631406) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
PubChem CID4631406
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H16ClNOS/c1-3-20-15-7-5-4-6-13(15)16(19)18-12-9-8-11(2)14(17)10-12/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyCIMAHARZXDPJDH-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.83
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 24628688
N-(3-chloro-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 17045551
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
ethyl 4-[(2-benzylsulfanylbenzoyl)amino]-2-chlorobenzoate
CID 28566816
N-(3-chloro-4-methylphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355384
2-(cyanomethylsulfanyl)-N-(3,4-dichlorophenyl)benzamide
CID 36677970
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
dimethyl 5-[(2-ethylsulfanylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 2210400

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide (CID 4631406) is N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide?
The InChIKey is CIMAHARZXDPJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-3-20-15-7-5-4-6-13(15)16(19)18-12-9-8-11(2)14(17)10-12/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide?
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide has a molecular weight of 305.83 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide is sourced from PubChem (CID 4631406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).