N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide

C19H23ClN2OS — CID 3024348

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide
SMILESCN(C)CCC(=O)N(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H23ClN2OS/c1-21(2)13-12-19(23)22(17-6-4-3-5-7-17)14-15-24-18-10-8-16(20)9-11-18/h3-11H,12-15H2,1-2H3
InChIKeyWJHMJZSCBFJHFM-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.42
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide

N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide (PubChem CID 3024348) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide
PubChem CID3024348
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide
SMILESCN(C)CCC(=O)N(CCSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C19H23ClN2OS/c1-21(2)13-12-19(23)22(17-6-4-3-5-7-17)14-15-24-18-10-8-16(20)9-11-18/h3-11H,12-15H2,1-2H3
InChIKeyWJHMJZSCBFJHFM-UHFFFAOYSA-N
XLogP4.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide (CID 3024348) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide is CN(C)CCC(=O)N(CCSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide?
The InChIKey is WJHMJZSCBFJHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-21(2)13-12-19(23)22(17-6-4-3-5-7-17)14-15-24-18-10-8-16(20)9-11-18/h3-11H,12-15H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide has a molecular weight of 362.93 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-(dimethylamino)-N-phenylpropanamide is sourced from PubChem (CID 3024348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).