4-(4-methylsulfanylbutylamino)benzamide

C12H18N2OS — CID 103087176

IUPAC4-(4-methylsulfanylbutylamino)benzamide
SMILESCSCCCCNc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2OS/c1-16-9-3-2-8-14-11-6-4-10(5-7-11)12(13)15/h4-7,14H,2-3,8-9H2,1H3,(H2,13,15)
InChIKeyMELHIZNYAXIIBN-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.34
Rot. Bonds7

About 4-(4-methylsulfanylbutylamino)benzamide

4-(4-methylsulfanylbutylamino)benzamide (PubChem CID 103087176) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-(4-methylsulfanylbutylamino)benzamide.

Molecular Properties

Compound Name4-(4-methylsulfanylbutylamino)benzamide
PubChem CID103087176
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-(4-methylsulfanylbutylamino)benzamide
SMILESCSCCCCNc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H18N2OS/c1-16-9-3-2-8-14-11-6-4-10(5-7-11)12(13)15/h4-7,14H,2-3,8-9H2,1H3,(H2,13,15)
InChIKeyMELHIZNYAXIIBN-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminobutylamino)benzamide
CID 117097342
4-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113239088
4-amino-3-(6-methylsulfanylhexylamino)benzamide
CID 114124771
4-[(5-amino-5-hydroxyiminopentyl)amino]benzamide
CID 77025709
N-cyclopropyl-4-(3-methylsulfanylpropylamino)benzamide
CID 43687486
2-methoxy-N-[4-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087575
2-fluoro-5-(3-methylsulfanylpropylamino)benzamide
CID 43705135
ethyl 4-(4-carbamoylanilino)butanoate
CID 60679098
4-fluoro-3-[(4-methylsulfanylbutylamino)methyl]benzamide
CID 113487487
4-methoxy-N-(4-methylsulfanylbutyl)aniline
CID 103087220
1-methyl-3-[4-(3-methylsulfanylpropylamino)phenyl]urea
CID 43744307
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylbutylamino)benzamide?
The IUPAC name of 4-(4-methylsulfanylbutylamino)benzamide (CID 103087176) is 4-(4-methylsulfanylbutylamino)benzamide.
What is the SMILES notation for 4-(4-methylsulfanylbutylamino)benzamide?
The canonical SMILES for 4-(4-methylsulfanylbutylamino)benzamide is CSCCCCNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(4-methylsulfanylbutylamino)benzamide?
The InChIKey is MELHIZNYAXIIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-16-9-3-2-8-14-11-6-4-10(5-7-11)12(13)15/h4-7,14H,2-3,8-9H2,1H3,(H2,13,15).
What are the key properties of 4-(4-methylsulfanylbutylamino)benzamide?
4-(4-methylsulfanylbutylamino)benzamide has a molecular weight of 238.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylbutylamino)benzamide is sourced from PubChem (CID 103087176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).