N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide

C15H18BrClN2OS — CID 107938934

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
SMILESNC(=S)C(NC(=O)c1cc(Cl)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H18BrClN2OS/c16-11-6-10(7-12(17)8-11)15(20)19-13(14(18)21)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,18,21)(H,19,20)
InChIKeyPONVNUMJUYIYQS-UHFFFAOYSA-N
MW389.75 g/mol
LogP4.07
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide (PubChem CID 107938934) has the molecular formula C15H18BrClN2OS and a molecular weight of 389.75 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
PubChem CID107938934
Molecular FormulaC15H18BrClN2OS
Molecular Weight389.75 g/mol
Exact Mass388.00
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
SMILESNC(=S)C(NC(=O)c1cc(Cl)cc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H18BrClN2OS/c16-11-6-10(7-12(17)8-11)15(20)19-13(14(18)21)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,18,21)(H,19,20)
InChIKeyPONVNUMJUYIYQS-UHFFFAOYSA-N
XLogP4.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.75
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
CID 61124988
2-cyclohexyl-2-[(3,5-dichlorobenzoyl)amino]acetic acid
CID 61014510
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-chloro-2-hydroxybenzamide
CID 61122009
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-bromo-3-chlorobenzamide
CID 81296092
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-bromo-4-chlorobenzamide
CID 107999073
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
2-[(3-bromo-5-methylbenzoyl)amino]-2-cyclohexylacetic acid
CID 104850715
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
CID 107938931
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-chlorophenyl)urea
CID 61124429
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide (CID 107938934) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide is NC(=S)C(NC(=O)c1cc(Cl)cc(Br)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide?
The InChIKey is PONVNUMJUYIYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2OS/c16-11-6-10(7-12(17)8-11)15(20)19-13(14(18)21)9-4-2-1-3-5-9/h6-9,13H,1-5H2,(H2,18,21)(H,19,20).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide has a molecular weight of 389.75 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide is sourced from PubChem (CID 107938934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).