N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide

C16H23NO2S — CID 71201175

IUPACN-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide
SMILESCCCCSC(C)(C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H23NO2S/c1-5-6-11-20-16(3,4)15(19)13-7-9-14(10-8-13)17-12(2)18/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyPGHIVIXSZOJWHV-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.14
Rot. Bonds7

About N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide

N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide (PubChem CID 71201175) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide
PubChem CID71201175
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide
SMILESCCCCSC(C)(C)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H23NO2S/c1-5-6-11-20-16(3,4)15(19)13-7-9-14(10-8-13)17-12(2)18/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyPGHIVIXSZOJWHV-UHFFFAOYSA-N
XLogP4.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.14
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

N-[4-(2-butylsulfanylacetyl)phenyl]acetamide
CID 71201159
N-[4-(2-ethylhexanoyl)phenyl]acetamide
CID 43337939
N-(4-nonanoylphenyl)acetamide
CID 65449309
4-acetamidobenzoic acid;butanoic acid
CID 159836092
N-(4-acetamidophenyl)hexanamide
CID 4953736
octan-2-yl 4-acetamidobenzoate
CID 102596170
3-(4-acetylphenyl)-1,1-dipentylthiourea
CID 19653315
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409
4-acetamido-N-[(Z)-hexan-2-ylideneamino]benzamide
CID 6134713
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737
4-(4-acetamidophenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298256

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide (CID 71201175) is N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide is CCCCSC(C)(C)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide?
The InChIKey is PGHIVIXSZOJWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-5-6-11-20-16(3,4)15(19)13-7-9-14(10-8-13)17-12(2)18/h7-10H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide?
N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide has a molecular weight of 293.43 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-butylsulfanyl-2-methylpropanoyl)phenyl]acetamide is sourced from PubChem (CID 71201175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).