2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide

C21H25N3O3S — CID 1100941

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1
InChIInChI=1S/C21H25N3O3S/c25-21(23-22-19-12-6-2-7-13-19)17-24(16-18-10-4-1-5-11-18)28(26,27)20-14-8-3-9-15-20/h1,3-5,8-11,14-15H,2,6-7,12-13,16-17H2,(H,23,25)
InChIKeyQFCABFNYYDYHNP-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.31
Rot. Bonds7

About 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide

2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide (PubChem CID 1100941) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide
PubChem CID1100941
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1
InChIInChI=1S/C21H25N3O3S/c25-21(23-22-19-12-6-2-7-13-19)17-24(16-18-10-4-1-5-11-18)28(26,27)20-14-8-3-9-15-20/h1,3-5,8-11,14-15H,2,6-7,12-13,16-17H2,(H,23,25)
InChIKeyQFCABFNYYDYHNP-UHFFFAOYSA-N
XLogP3.31
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(4-tert-butylcyclohexylidene)amino]acetamide
CID 124544256
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(cyclododecylideneamino)acetamide
CID 124542684
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(cyclododecylideneamino)acetamide
CID 4252454
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
N-(cyclododecylideneamino)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588840
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-methylacetamide
CID 1329684
2-[benzenesulfonyl(benzyl)amino]-N-(4-methylphenyl)acetamide
CID 2854852

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide (CID 1100941) is 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCC1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide?
The InChIKey is QFCABFNYYDYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-21(23-22-19-12-6-2-7-13-19)17-24(16-18-10-4-1-5-11-18)28(26,27)20-14-8-3-9-15-20/h1,3-5,8-11,14-15H,2,6-7,12-13,16-17H2,(H,23,25).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(cyclohexylideneamino)acetamide is sourced from PubChem (CID 1100941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).