N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide

C15H24N2OS — CID 107027548

IUPACN-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
SMILESCC(C)N(C)CCCCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H24N2OS/c1-12(2)17(3)11-5-4-10-16-15(18)13-6-8-14(19)9-7-13/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyPNGRIDWBWKPQPI-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.83
Rot. Bonds7

About N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide

N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide (PubChem CID 107027548) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
PubChem CID107027548
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
SMILESCC(C)N(C)CCCCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H24N2OS/c1-12(2)17(3)11-5-4-10-16-15(18)13-6-8-14(19)9-7-13/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKeyPNGRIDWBWKPQPI-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 79465134
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 103841799
N-decyl-4-sulfanylbenzamide
CID 107032455
2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
CID 106040669
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103719046
3-(dimethylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 47182779
2-bromo-5-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 81002289
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]pyridine-2-carboxylic acid
CID 106041493

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide?
The IUPAC name of N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide (CID 107027548) is N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide.
What is the SMILES notation for N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide?
The canonical SMILES for N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide is CC(C)N(C)CCCCNC(=O)c1ccc(S)cc1.
What is the InChIKey of N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide?
The InChIKey is PNGRIDWBWKPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(2)17(3)11-5-4-10-16-15(18)13-6-8-14(19)9-7-13/h6-9,12,19H,4-5,10-11H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide?
N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide has a molecular weight of 280.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide is sourced from PubChem (CID 107027548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).