N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

C19H17N3O3S3 — CID 2594546

IUPACN-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCSc1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O3S3/c1-26-15-10-8-14(9-11-15)13-20-21-19(23)16-5-2-3-6-17(16)22-28(24,25)18-7-4-12-27-18/h2-13,22H,1H3,(H,21,23)
InChIKeyTTXRJYZCVQTSAR-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.03
Rot. Bonds7

About N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2594546) has the molecular formula C19H17N3O3S3 and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2594546
Molecular FormulaC19H17N3O3S3
Molecular Weight431.56 g/mol
Exact Mass431.04
IUPAC NameN-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCSc1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O3S3/c1-26-15-10-8-14(9-11-15)13-20-21-19(23)16-5-2-3-6-17(16)22-28(24,25)18-7-4-12-27-18/h2-13,22H,1H3,(H,21,23)
InChIKeyTTXRJYZCVQTSAR-UHFFFAOYSA-N
XLogP4.03
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.03
H-Bond Donors ≤ 52
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-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[2-[[(4-methylsulfanylphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 1284880
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
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-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2402957

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 2594546) is N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is CSc1ccc(C=NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is TTXRJYZCVQTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S3/c1-26-15-10-8-14(9-11-15)13-20-21-19(23)16-5-2-3-6-17(16)22-28(24,25)18-7-4-12-27-18/h2-13,22H,1H3,(H,21,23).
What are the key properties of N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 431.56 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2594546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).