N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide

C14H19ClN2OS — CID 82103676

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide
SMILESCCCCN(CCC(N)=S)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-2-3-9-17(10-8-13(16)19)14(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,16,19)
InChIKeyZPKAROZEJGOGGU-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.26
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide

N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide (PubChem CID 82103676) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide
PubChem CID82103676
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide
SMILESCCCCN(CCC(N)=S)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2OS/c1-2-3-9-17(10-8-13(16)19)14(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,16,19)
InChIKeyZPKAROZEJGOGGU-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
N-(3-amino-3-sulfanylidenepropyl)-N-butylthiophene-2-carboxamide
CID 82103657
N-(3-amino-3-sulfanylidenepropyl)-3-fluoro-N-pentylbenzamide
CID 82103769
4-amino-N-butyl-N-propylbenzamide
CID 127119640
N-(3-amino-3-sulfanylidenepropyl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 82104174
N-(3-amino-3-sulfanylidenepropyl)-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 63287434
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
N-(3-amino-3-sulfanylidenepropyl)-4-iodo-N-(2-methoxyethyl)benzamide
CID 63287439
N-(3-amino-3-sulfanylidenepropyl)-3,5-dichloro-N-(2-methoxyethyl)benzamide
CID 63287704
sodium 4-[4-[[butyl-(4-chlorobenzoyl)amino]methyl]phenyl]benzoate
CID 23713087
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide (CID 82103676) is N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide is CCCCN(CCC(N)=S)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide?
The InChIKey is ZPKAROZEJGOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-2-3-9-17(10-8-13(16)19)14(18)11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H2,16,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide?
N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide has a molecular weight of 298.84 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-butyl-4-chlorobenzamide is sourced from PubChem (CID 82103676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).