N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide

C19H23NOS — CID 17321405

IUPACN-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C19H23NOS/c1-4-12-20(17-7-5-6-16(3)13-17)19(21)14-22-18-10-8-15(2)9-11-18/h5-11,13H,4,12,14H2,1-3H3
InChIKeyAZSFZMZSEDOZNE-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.84
Rot. Bonds6

About N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide

N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide (PubChem CID 17321405) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide
PubChem CID17321405
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide
SMILESCCCN(C(=O)CSc1ccc(C)cc1)c1cccc(C)c1
InChIInChI=1S/C19H23NOS/c1-4-12-20(17-7-5-6-16(3)13-17)19(21)14-22-18-10-8-15(2)9-11-18/h5-11,13H,4,12,14H2,1-3H3
InChIKeyAZSFZMZSEDOZNE-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
N-heptyl-N-(3-methylphenyl)propanamide
CID 167100434
2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612
N-(3-methylphenyl)-4-phenoxy-N-propylbutanamide
CID 17320931
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
3-(4-methoxyphenyl)-N-(3-methylphenyl)-N-propylpropanamide
CID 17321844
2-(N-ethyl-3-methylanilino)-N,N-dipropylacetamide
CID 109006691
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-one
CID 66065763
2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
CID 17321195
N-[2-(dimethylamino)ethyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 142825753

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide (CID 17321405) is N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide is CCCN(C(=O)CSc1ccc(C)cc1)c1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide?
The InChIKey is AZSFZMZSEDOZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS/c1-4-12-20(17-7-5-6-16(3)13-17)19(21)14-22-18-10-8-15(2)9-11-18/h5-11,13H,4,12,14H2,1-3H3.
What are the key properties of N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide?
N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide has a molecular weight of 313.47 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide is sourced from PubChem (CID 17321405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).