2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide

C23H26ClN3O3S — CID 55333923

IUPAC2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
SMILESO=C(CSc1ccccc1C(=O)NNC(=O)c1ccccc1Cl)NCC1CCCCC1
InChIInChI=1S/C23H26ClN3O3S/c24-19-12-6-4-10-17(19)22(29)26-27-23(30)18-11-5-7-13-20(18)31-15-21(28)25-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyPBVGFAWRUIASLU-UHFFFAOYSA-N
MW460.00 g/mol
LogP4.20
Rot. Bonds7

About 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide

2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide (PubChem CID 55333923) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
PubChem CID55333923
Molecular FormulaC23H26ClN3O3S
Molecular Weight460.00 g/mol
Exact Mass459.14
IUPAC Name2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide
SMILESO=C(CSc1ccccc1C(=O)NNC(=O)c1ccccc1Cl)NCC1CCCCC1
InChIInChI=1S/C23H26ClN3O3S/c24-19-12-6-4-10-17(19)22(29)26-27-23(30)18-11-5-7-13-20(18)31-15-21(28)25-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyPBVGFAWRUIASLU-UHFFFAOYSA-N
XLogP4.20
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.00
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2-[2-[(3-methylbutanoylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18164498
N-(cyclohexylmethyl)-2-[2-[(thiophene-2-carbonylamino)carbamoyl]phenyl]sulfanylacetamide
CID 18160095
N-(2-aminoethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 119384780
4-[[2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]butanoic acid
CID 119170730
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
CID 112793176
N-(cyclohexylmethyl)-2-[2-(1,4-diazepane-1-carbonyl)phenyl]sulfanylacetamide
CID 119417722
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(furan-3-ylmethyl)benzamide
CID 55838539
N-(cyclohexylmethyl)-2-[2-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]sulfanylacetamide
CID 55341943
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887919
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 26796067
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-(3,4-dimethylphenyl)benzamide
CID 26915377
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide?
The IUPAC name of 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide (CID 55333923) is 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide.
What is the SMILES notation for 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide?
The canonical SMILES for 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide is O=C(CSc1ccccc1C(=O)NNC(=O)c1ccccc1Cl)NCC1CCCCC1.
What is the InChIKey of 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide?
The InChIKey is PBVGFAWRUIASLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c24-19-12-6-4-10-17(19)22(29)26-27-23(30)18-11-5-7-13-20(18)31-15-21(28)25-14-16-8-2-1-3-9-16/h4-7,10-13,16H,1-3,8-9,14-15H2,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide?
2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide has a molecular weight of 460.00 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-(cyclohexylmethyl)acetamide is sourced from PubChem (CID 55333923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).