3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide

C19H24N2OS — CID 118775335

IUPAC3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide
SMILESCc1cccnc1CC(C)NC(=O)CCSCc1ccccc1
InChIInChI=1S/C19H24N2OS/c1-15-7-6-11-20-18(15)13-16(2)21-19(22)10-12-23-14-17-8-4-3-5-9-17/h3-9,11,16H,10,12-14H2,1-2H3,(H,21,22)
InChIKeyCQYAQYUIMDQZMZ-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.76
Rot. Bonds8

About 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide

3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide (PubChem CID 118775335) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide
PubChem CID118775335
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide
SMILESCc1cccnc1CC(C)NC(=O)CCSCc1ccccc1
InChIInChI=1S/C19H24N2OS/c1-15-7-6-11-20-18(15)13-16(2)21-19(22)10-12-23-14-17-8-4-3-5-9-17/h3-9,11,16H,10,12-14H2,1-2H3,(H,21,22)
InChIKeyCQYAQYUIMDQZMZ-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzylsulfanyl-N-butan-2-ylpropanamide
CID 19916451
3-benzylsulfanyl-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220086
3-benzylsulfanyl-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 132651265
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
2-benzylsulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 40654458
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
3-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92675402
3-benzylsulfanyl-N-[1-(4-tert-butylphenyl)ethyl]propanamide
CID 132653746
ethyl (2S)-2-(3-benzylsulfanylpropanoylamino)-4-methylsulfanylbutanoate
CID 22827167
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide?
The IUPAC name of 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide (CID 118775335) is 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide?
The canonical SMILES for 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide is Cc1cccnc1CC(C)NC(=O)CCSCc1ccccc1.
What is the InChIKey of 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide?
The InChIKey is CQYAQYUIMDQZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-7-6-11-20-18(15)13-16(2)21-19(22)10-12-23-14-17-8-4-3-5-9-17/h3-9,11,16H,10,12-14H2,1-2H3,(H,21,22).
What are the key properties of 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide?
3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide has a molecular weight of 328.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]propanamide is sourced from PubChem (CID 118775335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).