2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C21H20ClN3O3S2 — CID 6876519

IUPAC2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1cccc(CN(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H20ClN3O3S2/c1-16-4-2-5-17(12-16)14-25(30(27,28)20-9-7-18(22)8-10-20)15-21(26)24-23-13-19-6-3-11-29-19/h2-13H,14-15H2,1H3,(H,24,26)/b23-13+
InChIKeyWEAOIXXVZNSDMZ-YDZHTSKRSA-N
MW462.00 g/mol
LogP4.05
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6876519) has the molecular formula C21H20ClN3O3S2 and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6876519
Molecular FormulaC21H20ClN3O3S2
Molecular Weight462.00 g/mol
Exact Mass461.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1cccc(CN(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H20ClN3O3S2/c1-16-4-2-5-17(12-16)14-25(30(27,28)20-9-7-18(22)8-10-20)15-21(26)24-23-13-19-6-3-11-29-19/h2-13H,14-15H2,1H3,(H,24,26)/b23-13+
InChIKeyWEAOIXXVZNSDMZ-YDZHTSKRSA-N
XLogP4.05
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126150078
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137051503
N-[(Z)-benzylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073699
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 9497459
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 6185062
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126075784
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126035504
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126118556
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-pentylacetamide
CID 126393057
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126067339
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 126081040
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 4004797

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 6876519) is 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is Cc1cccc(CN(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is WEAOIXXVZNSDMZ-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H20ClN3O3S2/c1-16-4-2-5-17(12-16)14-25(30(27,28)20-9-7-18(22)8-10-20)15-21(26)24-23-13-19-6-3-11-29-19/h2-13H,14-15H2,1H3,(H,24,26)/b23-13+.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 462.00 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6876519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).