N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide

C12H17NOS — CID 107031339

IUPACN-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(15)12(14)13(2)9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3
InChIKeyKTEFAUBRTITRCH-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.01
Rot. Bonds4

About N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide

N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide (PubChem CID 107031339) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
PubChem CID107031339
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)CCc1ccccc1
InChIInChI=1S/C12H17NOS/c1-10(15)12(14)13(2)9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3
InChIKeyKTEFAUBRTITRCH-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 22954091
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
(2R)-2-amino-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 79012795
3-amino-2-hydroxy-N-methyl-N-(2-phenylethyl)propanamide
CID 115180819
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
2-carbamothioyl-N,3-dimethyl-N-(2-phenylethyl)butanamide
CID 65487463
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
2-bromo-N-methyl-N-(2-phenylethyl)benzamide
CID 60739770
2,3-dimethyl-4-[methyl(4-phenylbutyl)amino]-4-oxobutanoic acid
CID 103497790
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide?
The IUPAC name of N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide (CID 107031339) is N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide is CC(S)C(=O)N(C)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide?
The InChIKey is KTEFAUBRTITRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(15)12(14)13(2)9-8-11-6-4-3-5-7-11/h3-7,10,15H,8-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide?
N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide has a molecular weight of 223.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107031339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).