2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

C20H18ClN3O3S2 — CID 126030742

IUPAC2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C20H18ClN3O3S2/c1-15(19-8-5-13-28-19)22-23-20(25)14-24(17-6-3-2-4-7-17)29(26,27)18-11-9-16(21)10-12-18/h2-13H,14H2,1H3,(H,23,25)/b22-15-
InChIKeyALHFCZSLXVKNPJ-JCMHNJIXSA-N
MW447.97 g/mol
LogP4.14
Rot. Bonds7

About 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide

2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (PubChem CID 126030742) has the molecular formula C20H18ClN3O3S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
PubChem CID126030742
Molecular FormulaC20H18ClN3O3S2
Molecular Weight447.97 g/mol
Exact Mass447.05
IUPAC Name2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C20H18ClN3O3S2/c1-15(19-8-5-13-28-19)22-23-20(25)14-24(17-6-3-2-4-7-17)29(26,27)18-11-9-16(21)10-12-18/h2-13H,14H2,1H3,(H,23,25)/b22-15-
InChIKeyALHFCZSLXVKNPJ-JCMHNJIXSA-N
XLogP4.14
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.14
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-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 3371590
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126144613
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 126034557
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126035504
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126033834
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 27046938
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 94837936
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126031826
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034155
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(cyclododecylideneamino)acetamide
CID 126034636
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43879267

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide (CID 126030742) is 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is C/C(=N/NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
The InChIKey is ALHFCZSLXVKNPJ-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H18ClN3O3S2/c1-15(19-8-5-13-28-19)22-23-20(25)14-24(17-6-3-2-4-7-17)29(26,27)18-11-9-16(21)10-12-18/h2-13H,14H2,1H3,(H,23,25)/b22-15-.
What are the key properties of 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide?
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide has a molecular weight of 447.97 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide is sourced from PubChem (CID 126030742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).