N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide

C20H17N3O3S2 — CID 4537987

IUPACN-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=CC=Cc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C20H17N3O3S2/c24-20(22-21-14-6-10-16-8-2-1-3-9-16)17-11-4-5-12-18(17)23-28(25,26)19-13-7-15-27-19/h1-15,23H,(H,22,24)
InChIKeySRRXALCWLMYGTO-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.98
Rot. Bonds7

About N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide

N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 4537987) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID4537987
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=CC=Cc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C20H17N3O3S2/c24-20(22-21-14-6-10-16-8-2-1-3-9-16)17-11-4-5-12-18(17)23-28(25,26)19-13-7-15-27-19/h1-15,23H,(H,22,24)
InChIKeySRRXALCWLMYGTO-UHFFFAOYSA-N
XLogP3.98
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
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

N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6901733
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
2-[(4-chlorophenyl)sulfonylamino]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 6283942
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 136919028
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594386
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908128
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6893110

Frequently Asked Questions

What is the IUPAC name of N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide (CID 4537987) is N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(NN=CC=Cc1ccccc1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is SRRXALCWLMYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c24-20(22-21-14-6-10-16-8-2-1-3-9-16)17-11-4-5-12-18(17)23-28(25,26)19-13-7-15-27-19/h1-15,23H,(H,22,24).
What are the key properties of N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 411.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 4537987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).