N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide

C23H30N2O2S — CID 132661000

IUPACN-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1
InChIInChI=1S/C23H30N2O2S/c1-5-24-23(27)19(4)25(14-21-12-7-6-10-18(21)3)22(26)16-28-15-20-11-8-9-17(2)13-20/h6-13,19H,5,14-16H2,1-4H3,(H,24,27)
InChIKeyNOBOMLYTRNZUEN-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.09
Rot. Bonds9

About N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide

N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide (PubChem CID 132661000) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
PubChem CID132661000
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
SMILESCCNC(=O)C(C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1
InChIInChI=1S/C23H30N2O2S/c1-5-24-23(27)19(4)25(14-21-12-7-6-10-18(21)3)22(26)16-28-15-20-11-8-9-17(2)13-20/h6-13,19H,5,14-16H2,1-4H3,(H,24,27)
InChIKeyNOBOMLYTRNZUEN-UHFFFAOYSA-N
XLogP4.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-ethylpropanamide
CID 132947681
2-[benzyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-butylpropanamide
CID 132707599
2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132715998
2-[(2-benzylsulfanylacetyl)-[(2-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132660953
(2R)-2-[(3-methylphenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100655725
2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133232819
(2R)-2-[benzyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100647089
2-[(2-benzylsulfanylacetyl)-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132657985
2-[(3-methylphenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide
CID 132664259
2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132669782
(2S)-N-[(2S)-butan-2-yl]-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100524504
N-ethyl-2-[(2-fluorophenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132763685

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide (CID 132661000) is N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide is CCNC(=O)C(C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide?
The InChIKey is NOBOMLYTRNZUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-5-24-23(27)19(4)25(14-21-12-7-6-10-18(21)3)22(26)16-28-15-20-11-8-9-17(2)13-20/h6-13,19H,5,14-16H2,1-4H3,(H,24,27).
What are the key properties of N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide?
N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide has a molecular weight of 398.57 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylphenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanamide is sourced from PubChem (CID 132661000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).