N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide

C16H16ClNOS — CID 107025469

IUPACN-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H16ClNOS/c1-10-7-8-12(20)9-14(10)16(19)18-11(2)13-5-3-4-6-15(13)17/h3-9,11,20H,1-2H3,(H,18,19)
InChIKeyVMKXWQFZGWXFLJ-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.43
Rot. Bonds3

About N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide

N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide (PubChem CID 107025469) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
PubChem CID107025469
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H16ClNOS/c1-10-7-8-12(20)9-14(10)16(19)18-11(2)13-5-3-4-6-15(13)17/h3-9,11,20H,1-2H3,(H,18,19)
InChIKeyVMKXWQFZGWXFLJ-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide
CID 107022791
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[1-(2-chlorophenyl)ethyl]-2,4-dihydroxybenzamide
CID 103600135
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide (CID 107025469) is N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide?
The InChIKey is VMKXWQFZGWXFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-10-7-8-12(20)9-14(10)16(19)18-11(2)13-5-3-4-6-15(13)17/h3-9,11,20H,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide?
N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide has a molecular weight of 305.83 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107025469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).