N-benzhydryl-2-sulfanylpropanamide

C16H17NOS — CID 107022267

IUPACN-benzhydryl-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-12(19)16(18)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,19H,1H3,(H,17,18)
InChIKeyYUQWDLCWRWVALG-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.21
Rot. Bonds4

About N-benzhydryl-2-sulfanylpropanamide

N-benzhydryl-2-sulfanylpropanamide (PubChem CID 107022267) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is N-benzhydryl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-benzhydryl-2-sulfanylpropanamide
PubChem CID107022267
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC NameN-benzhydryl-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NOS/c1-12(19)16(18)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,19H,1H3,(H,17,18)
InChIKeyYUQWDLCWRWVALG-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
N-(3-hydroxy-1-phenylpropyl)-2-sulfanylpropanamide
CID 149225632
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
3-benzhydryl-1,1-dimethylurea
CID 2228466
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-sulfanylpropanamide?
The IUPAC name of N-benzhydryl-2-sulfanylpropanamide (CID 107022267) is N-benzhydryl-2-sulfanylpropanamide.
What is the SMILES notation for N-benzhydryl-2-sulfanylpropanamide?
The canonical SMILES for N-benzhydryl-2-sulfanylpropanamide is CC(S)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-sulfanylpropanamide?
The InChIKey is YUQWDLCWRWVALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-12(19)16(18)17-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,19H,1H3,(H,17,18).
What are the key properties of N-benzhydryl-2-sulfanylpropanamide?
N-benzhydryl-2-sulfanylpropanamide has a molecular weight of 271.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-sulfanylpropanamide is sourced from PubChem (CID 107022267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).