2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide

C19H23ClN2OS — CID 51150496

IUPAC2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(Cc2ccccc2)N(C)C)c1
InChIInChI=1S/C19H23ClN2OS/c1-22(2)15(11-14-7-5-4-6-8-14)13-21-19(23)17-12-16(24-3)9-10-18(17)20/h4-10,12,15H,11,13H2,1-3H3,(H,21,23)
InChIKeyFJCRRMMGFQSZKG-UHFFFAOYSA-N
MW362.93 g/mol
LogP3.96
Rot. Bonds7

About 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide

2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide (PubChem CID 51150496) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
PubChem CID51150496
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(Cc2ccccc2)N(C)C)c1
InChIInChI=1S/C19H23ClN2OS/c1-22(2)15(11-14-7-5-4-6-8-14)13-21-19(23)17-12-16(24-3)9-10-18(17)20/h4-10,12,15H,11,13H2,1-3H3,(H,21,23)
InChIKeyFJCRRMMGFQSZKG-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]thiophene-3-carboxamide
CID 51251317
(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398
3,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-2-carboxamide
CID 134025831
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
4-bromo-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-2-fluorobenzamide
CID 34957506
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
7-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51265230
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
N-[2-(dimethylamino)-2-phenylethyl]-2-methyl-5-methylsulfanylbenzamide
CID 134018244
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide (CID 51150496) is 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NCC(Cc2ccccc2)N(C)C)c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide?
The InChIKey is FJCRRMMGFQSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-22(2)15(11-14-7-5-4-6-8-14)13-21-19(23)17-12-16(24-3)9-10-18(17)20/h4-10,12,15H,11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide?
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide has a molecular weight of 362.93 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 51150496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).