2-butylsulfanyl-N,N-diethyl-2-phenylacetamide

C16H25NOS — CID 112795257

IUPAC2-butylsulfanyl-N,N-diethyl-2-phenylacetamide
SMILESCCCCSC(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-4-7-13-19-15(14-11-9-8-10-12-14)16(18)17(5-2)6-3/h8-12,15H,4-7,13H2,1-3H3
InChIKeyNWAUQOWIRNBPSN-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.13
Rot. Bonds8

About 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide

2-butylsulfanyl-N,N-diethyl-2-phenylacetamide (PubChem CID 112795257) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N,N-diethyl-2-phenylacetamide
PubChem CID112795257
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-butylsulfanyl-N,N-diethyl-2-phenylacetamide
SMILESCCCCSC(C(=O)N(CC)CC)c1ccccc1
InChIInChI=1S/C16H25NOS/c1-4-7-13-19-15(14-11-9-8-10-12-14)16(18)17(5-2)6-3/h8-12,15H,4-7,13H2,1-3H3
InChIKeyNWAUQOWIRNBPSN-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
CID 112795259
2-butylsulfanyl-1,2-diphenylethanone
CID 4125598
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
ethyl 2-(diethylcarbamoylsulfanyl)-2-phenylacetate
CID 169440158
2-phenyl-2-phenylsulfanyl-N,N-dipropylacetamide
CID 3702485
2-[4-(2-oxo-1,2-diphenylethyl)sulfanylbutylsulfanyl]-1,2-diphenylethanone
CID 152509130
N,N-diethyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 60598100
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-(3-methoxypropylsulfanyl)-2-phenylacetic acid
CID 63857542
ethyl 2-[2-(dimethylamino)ethylsulfanyl]-2-phenylacetate
CID 113338798

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide (CID 112795257) is 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide is CCCCSC(C(=O)N(CC)CC)c1ccccc1.
What is the InChIKey of 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide?
The InChIKey is NWAUQOWIRNBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-4-7-13-19-15(14-11-9-8-10-12-14)16(18)17(5-2)6-3/h8-12,15H,4-7,13H2,1-3H3.
What are the key properties of 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide?
2-butylsulfanyl-N,N-diethyl-2-phenylacetamide has a molecular weight of 279.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 112795257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).