N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide

C20H25NOS — CID 99130631

IUPACN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NOS/c1-14-6-9-18(10-7-14)23-12-11-20(22)21-17(4)19-13-15(2)5-8-16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyWEGYBJKQOOVXPB-KRWDZBQOSA-N
MW327.49 g/mol
LogP4.97
Rot. Bonds6

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 99130631) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID99130631
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NOS/c1-14-6-9-18(10-7-14)23-12-11-20(22)21-17(4)19-13-15(2)5-8-16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyWEGYBJKQOOVXPB-KRWDZBQOSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
3-(4-chlorophenyl)sulfanyl-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 132652863
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 99130682
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 31751278
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46771387
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94018852
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 92676888
(2S)-3-hydroxy-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid
CID 61151903
N-[1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 132651271

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide (CID 99130631) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is WEGYBJKQOOVXPB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NOS/c1-14-6-9-18(10-7-14)23-12-11-20(22)21-17(4)19-13-15(2)5-8-16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide?
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 327.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 99130631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).