N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide

C21H26N2O2S — CID 9296897

IUPACN-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC[C@H](NC(=O)CSCC(=O)Nc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-19(17-10-8-15(2)9-11-17)23-21(25)14-26-13-20(24)22-18-7-5-6-16(3)12-18/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)/t19-/m0/s1
InChIKeyRJNHXDUZXUTFAS-IBGZPJMESA-N
MW370.52 g/mol
LogP4.24
Rot. Bonds8

About N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide

N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 9296897) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID9296897
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC[C@H](NC(=O)CSCC(=O)Nc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-19(17-10-8-15(2)9-11-17)23-21(25)14-26-13-20(24)22-18-7-5-6-16(3)12-18/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)/t19-/m0/s1
InChIKeyRJNHXDUZXUTFAS-IBGZPJMESA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl]sulfanylacetamide
CID 84973416
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296915
N-(3-methylphenyl)-2-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]sulfanylacetamide
CID 43007777
N-(3-methylphenyl)-2-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9437356
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
2-[2-[[2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 55737377
2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 967041
2-[2-(3-acetylanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 9095730
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
1-(3-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide (CID 9296897) is N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide is CC[C@H](NC(=O)CSCC(=O)Nc1cccc(C)c1)c1ccc(C)cc1.
What is the InChIKey of N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is RJNHXDUZXUTFAS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-4-19(17-10-8-15(2)9-11-17)23-21(25)14-26-13-20(24)22-18-7-5-6-16(3)12-18/h5-12,19H,4,13-14H2,1-3H3,(H,22,24)(H,23,25)/t19-/m0/s1.
What are the key properties of N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide?
N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 370.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9296897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).