N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide

C14H19ClN2O2S — CID 106501052

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC(N)=S)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H19ClN2O2S/c1-9(2)8-17(6-5-13(16)20)14(19)11-7-10(18)3-4-12(11)15/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,16,20)
InChIKeyUMJMHGIGCSPMAC-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.82
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide

N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide (PubChem CID 106501052) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide
PubChem CID106501052
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CCC(N)=S)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H19ClN2O2S/c1-9(2)8-17(6-5-13(16)20)14(19)11-7-10(18)3-4-12(11)15/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,16,20)
InChIKeyUMJMHGIGCSPMAC-UHFFFAOYSA-N
XLogP2.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 81453961
N-(3-amino-3-sulfanylidenepropyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107722079
2-amino-5-hydroxy-N,N-bis(2-methylpropyl)benzamide
CID 107074162
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-4-fluoro-N-(2-methylpropyl)benzamide
CID 107951193
3-[(2-chloro-4,5-dimethylbenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 120516410
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
CID 54988318
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-chloro-5-hydroxy-N-(2-methoxyethyl)benzamide
CID 106502796
3-[(2-chloro-5-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 106500210
5-amino-2-chloro-N,N-bis(3-methylbutyl)benzamide
CID 61106628
N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 103865180
N-(3-amino-3-sulfanylidenepropyl)-2-fluoro-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 107676080

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide (CID 106501052) is N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide is CC(C)CN(CCC(N)=S)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide?
The InChIKey is UMJMHGIGCSPMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-9(2)8-17(6-5-13(16)20)14(19)11-7-10(18)3-4-12(11)15/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,16,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide?
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide has a molecular weight of 314.84 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-chloro-5-hydroxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 106501052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).