2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide

C23H29N3O5S — CID 92511645

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H29N3O5S/c1-30-20-14-13-18(22(15-20)31-2)16-24-25-23(27)17-26(19-9-5-3-6-10-19)32(28,29)21-11-7-4-8-12-21/h4,7-8,11-16,19H,3,5-6,9-10,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyUUFHVRXDGFSBES-LFVJCYFKSA-N
MW459.57 g/mol
LogP3.18
Rot. Bonds9

About 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 92511645) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID92511645
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C23H29N3O5S/c1-30-20-14-13-18(22(15-20)31-2)16-24-25-23(27)17-26(19-9-5-3-6-10-19)32(28,29)21-11-7-4-8-12-21/h4,7-8,11-16,19H,3,5-6,9-10,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyUUFHVRXDGFSBES-LFVJCYFKSA-N
XLogP3.18
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 27876509
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 92511644
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 3717230
methyl 2-[[2-[benzenesulfonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethoxybenzoate
CID 45372813
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511418
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6896418
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 124550969
2-[cyclohexyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 10807240
2-(azocan-1-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5338397
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6175757
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589083

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide (CID 92511645) is 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is UUFHVRXDGFSBES-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-30-20-14-13-18(22(15-20)31-2)16-24-25-23(27)17-26(19-9-5-3-6-10-19)32(28,29)21-11-7-4-8-12-21/h4,7-8,11-16,19H,3,5-6,9-10,17H2,1-2H3,(H,25,27)/b24-16+.
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 459.57 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92511645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).