4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide

C13H20N2OS — CID 113488238

IUPAC4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
SMILESCNc1ccc(C(=O)NCCCCSC)cc1
InChIInChI=1S/C13H20N2OS/c1-14-12-7-5-11(6-8-12)13(16)15-9-3-4-10-17-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyBMCSYLQJQQNLMS-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.60
Rot. Bonds7

About 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide

4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide (PubChem CID 113488238) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
PubChem CID113488238
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
SMILESCNc1ccc(C(=O)NCCCCSC)cc1
InChIInChI=1S/C13H20N2OS/c1-14-12-7-5-11(6-8-12)13(16)15-9-3-4-10-17-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyBMCSYLQJQQNLMS-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.60
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-iodo-N-(5-methylsulfanylpentyl)benzamide
CID 104920149
4-bromo-N-(3-methylsulfanylpropyl)benzamide
CID 63959814
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
3,4-dihydroxy-N-(4-methylsulfanylbutyl)benzamide
CID 103957170
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-fluoro-3-methyl-N-(4-methylsulfanylbutyl)benzamide
CID 115635798
5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 104641430
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
CID 83114529
4-fluoro-3-methyl-N-(6-methylsulfanylhexyl)benzamide
CID 113412198
4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63961042
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide (CID 113488238) is 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide is CNc1ccc(C(=O)NCCCCSC)cc1.
What is the InChIKey of 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide?
The InChIKey is BMCSYLQJQQNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-12-7-5-11(6-8-12)13(16)15-9-3-4-10-17-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide?
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide has a molecular weight of 252.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide is sourced from PubChem (CID 113488238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).