N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide

C24H32N2O2S — CID 132664273

IUPACN-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C24H32N2O2S/c1-4-22(24(28)25-5-2)26(17-15-20-9-7-6-8-10-20)23(27)16-18-29-21-13-11-19(3)12-14-21/h6-14,22H,4-5,15-18H2,1-3H3,(H,25,28)
InChIKeyKIOHCUBPSMDCJY-UHFFFAOYSA-N
MW412.60 g/mol
LogP4.46
Rot. Bonds11

About N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide

N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide (PubChem CID 132664273) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide
PubChem CID132664273
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC NameN-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide
SMILESCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1
InChIInChI=1S/C24H32N2O2S/c1-4-22(24(28)25-5-2)26(17-15-20-9-7-6-8-10-20)23(27)16-18-29-21-13-11-19(3)12-14-21/h6-14,22H,4-5,15-18H2,1-3H3,(H,25,28)
InChIKeyKIOHCUBPSMDCJY-UHFFFAOYSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100627070
2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132710578
N-cyclopentyl-2-[2-phenylethyl(3-phenylsulfanylpropanoyl)amino]butanamide
CID 132611624
(2R)-2-[4-(4-chlorophenyl)sulfanylbutanoyl-(2-phenylethyl)amino]-N-propylbutanamide
CID 100637591
(2R)-2-[4-(4-chlorophenyl)sulfanylbutanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515041
2-[(4-methylphenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-propylbutanamide
CID 132664266
2-[3-(4-chlorophenyl)sulfanylpropanoyl-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 132617687
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
N-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]propanamide
CID 132710653
2-[4-(4-chlorophenyl)sulfanylbutanoyl-(2-phenylethyl)amino]-N-propan-2-ylbutanamide
CID 132719833
(2R)-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-propylbutanamide
CID 100557358
2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]-N-propylbutanamide
CID 132668052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide (CID 132664273) is N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide is CCNC(=O)C(CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide?
The InChIKey is KIOHCUBPSMDCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-4-22(24(28)25-5-2)26(17-15-20-9-7-6-8-10-20)23(27)16-18-29-21-13-11-19(3)12-14-21/h6-14,22H,4-5,15-18H2,1-3H3,(H,25,28).
What are the key properties of N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide?
N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide has a molecular weight of 412.60 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-methylphenyl)sulfanylpropanoyl-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132664273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).