N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide

C15H23NOS — CID 71896107

IUPACN-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
SMILESCc1ccccc1CCNC(=O)C(C)SC(C)C
InChIInChI=1S/C15H23NOS/c1-11(2)18-13(4)15(17)16-10-9-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)
InChIKeyNGMQNUKZDARNGV-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide

N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide (PubChem CID 71896107) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
PubChem CID71896107
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
SMILESCc1ccccc1CCNC(=O)C(C)SC(C)C
InChIInChI=1S/C15H23NOS/c1-11(2)18-13(4)15(17)16-10-9-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,16,17)
InChIKeyNGMQNUKZDARNGV-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 55361033
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115180788
3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 106113152
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
CID 78851393
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
CID 18144066
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide (CID 71896107) is N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide is Cc1ccccc1CCNC(=O)C(C)SC(C)C.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide?
The InChIKey is NGMQNUKZDARNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)18-13(4)15(17)16-10-9-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide?
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide has a molecular weight of 265.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 71896107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).