4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide

C16H25N3O2S — CID 11267278

IUPAC4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCNC(=O)CS)cc1
InChIInChI=1S/C16H25N3O2S/c1-19(2)14-8-6-13(7-9-14)16(21)18-11-5-3-4-10-17-15(20)12-22/h6-9,22H,3-5,10-12H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySGOHSANPZHQNKM-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.70
Rot. Bonds9

About 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide

4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide (PubChem CID 11267278) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
PubChem CID11267278
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCCCCCNC(=O)CS)cc1
InChIInChI=1S/C16H25N3O2S/c1-19(2)14-8-6-13(7-9-14)16(21)18-11-5-3-4-10-17-15(20)12-22/h6-9,22H,3-5,10-12H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySGOHSANPZHQNKM-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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4-amino-N,N-diethylbenzamide
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4-amino-N-benzylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide (CID 11267278) is 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide is CN(C)c1ccc(C(=O)NCCCCCNC(=O)CS)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
The InChIKey is SGOHSANPZHQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-19(2)14-8-6-13(7-9-14)16(21)18-11-5-3-4-10-17-15(20)12-22/h6-9,22H,3-5,10-12H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide?
4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide has a molecular weight of 323.46 g/mol, XLogP of 1.70, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide is sourced from PubChem (CID 11267278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).