N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide

C20H23ClN2O2S — CID 9296915

IUPACN-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC[C@@H](NC(=O)CSCC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-18(15-6-4-14(2)5-7-15)23-20(25)13-26-12-19(24)22-17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyQMIKPZHKTQEQOK-GOSISDBHSA-N
MW390.94 g/mol
LogP4.59
Rot. Bonds8

About N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide

N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 9296915) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID9296915
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC[C@@H](NC(=O)CSCC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-18(15-6-4-14(2)5-7-15)23-20(25)13-26-12-19(24)22-17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyQMIKPZHKTQEQOK-GOSISDBHSA-N
XLogP4.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
N-(3-methylphenyl)-2-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]sulfanylacetamide
CID 84973416
N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296897
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766070
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636252
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636263
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4828679

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide (CID 9296915) is N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide is CC[C@@H](NC(=O)CSCC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is QMIKPZHKTQEQOK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-3-18(15-6-4-14(2)5-7-15)23-20(25)13-26-12-19(24)22-17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t18-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 390.94 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9296915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).