N-(4-phenylbutan-2-yl)-2-sulfanylacetamide

C12H17NOS — CID 60650069

IUPACN-(4-phenylbutan-2-yl)-2-sulfanylacetamide
SMILESCC(CCc1ccccc1)NC(=O)CS
InChIInChI=1S/C12H17NOS/c1-10(13-12(14)9-15)7-8-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,13,14)
InChIKeyYAFNBGGJOAOUNN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.05
Rot. Bonds5

About N-(4-phenylbutan-2-yl)-2-sulfanylacetamide

N-(4-phenylbutan-2-yl)-2-sulfanylacetamide (PubChem CID 60650069) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-2-sulfanylacetamide
PubChem CID60650069
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(4-phenylbutan-2-yl)-2-sulfanylacetamide
SMILESCC(CCc1ccccc1)NC(=O)CS
InChIInChI=1S/C12H17NOS/c1-10(13-12(14)9-15)7-8-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,13,14)
InChIKeyYAFNBGGJOAOUNN-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.05
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

N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(3S)-3-phenyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 40591277
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
2-benzylsulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 40617650
2-(benzhydrylamino)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7516085
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-2-sulfanylacetamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-2-sulfanylacetamide (CID 60650069) is N-(4-phenylbutan-2-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-2-sulfanylacetamide is CC(CCc1ccccc1)NC(=O)CS.
What is the InChIKey of N-(4-phenylbutan-2-yl)-2-sulfanylacetamide?
The InChIKey is YAFNBGGJOAOUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-10(13-12(14)9-15)7-8-11-5-3-2-4-6-11/h2-6,10,15H,7-9H2,1H3,(H,13,14).
What are the key properties of N-(4-phenylbutan-2-yl)-2-sulfanylacetamide?
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-2-sulfanylacetamide is sourced from PubChem (CID 60650069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).