N-phenyl-3-propan-2-ylsulfanylpropanamide

C12H17NOS — CID 163921680

IUPACN-phenyl-3-propan-2-ylsulfanylpropanamide
SMILESCC(C)SCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(2)15-9-8-12(14)13-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyRAXNORJYYFSXSD-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.16
Rot. Bonds5

About N-phenyl-3-propan-2-ylsulfanylpropanamide

N-phenyl-3-propan-2-ylsulfanylpropanamide (PubChem CID 163921680) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-phenyl-3-propan-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-phenyl-3-propan-2-ylsulfanylpropanamide
PubChem CID163921680
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-phenyl-3-propan-2-ylsulfanylpropanamide
SMILESCC(C)SCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(2)15-9-8-12(14)13-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyRAXNORJYYFSXSD-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66220664
5-anilino-2-methyl-5-oxopentanoic acid
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(2R)-5-anilino-2-methyl-5-oxopentanoic acid
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(2R)-2-amino-3-(3-anilino-3-oxopropyl)sulfanylpropanoic acid
CID 61142275
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
N-(3-amino-4-fluorophenyl)-3-propan-2-ylsulfanylpropanamide
CID 60885351
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
3-fluoro-N-phenylpropanamide
CID 70366284
3-(2-methylpentan-3-ylamino)-N-phenylpropanamide
CID 119106534

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-propan-2-ylsulfanylpropanamide?
The IUPAC name of N-phenyl-3-propan-2-ylsulfanylpropanamide (CID 163921680) is N-phenyl-3-propan-2-ylsulfanylpropanamide.
What is the SMILES notation for N-phenyl-3-propan-2-ylsulfanylpropanamide?
The canonical SMILES for N-phenyl-3-propan-2-ylsulfanylpropanamide is CC(C)SCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-propan-2-ylsulfanylpropanamide?
The InChIKey is RAXNORJYYFSXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(2)15-9-8-12(14)13-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-phenyl-3-propan-2-ylsulfanylpropanamide?
N-phenyl-3-propan-2-ylsulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-propan-2-ylsulfanylpropanamide is sourced from PubChem (CID 163921680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).