N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

C20H17ClN2O3S2 — CID 32831449

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H17ClN2O3S2/c21-19-11-10-18(27-19)14-22-20(24)16-6-8-17(9-7-16)23-28(25,26)13-12-15-4-2-1-3-5-15/h1-13,23H,14H2,(H,22,24)/b13-12+
InChIKeyMLKPPKRABOKORX-OUKQBFOZSA-N
MW432.95 g/mol
LogP4.74
Rot. Bonds7

About N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide

N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (PubChem CID 32831449) has the molecular formula C20H17ClN2O3S2 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
PubChem CID32831449
Molecular FormulaC20H17ClN2O3S2
Molecular Weight432.95 g/mol
Exact Mass432.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
SMILESO=C(NCc1ccc(Cl)s1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H17ClN2O3S2/c21-19-11-10-18(27-19)14-22-20(24)16-6-8-17(9-7-16)23-28(25,26)13-12-15-4-2-1-3-5-15/h1-13,23H,14H2,(H,22,24)/b13-12+
InChIKeyMLKPPKRABOKORX-OUKQBFOZSA-N
XLogP4.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide with MolForge

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Related Compounds

4-(benzenesulfonamido)-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 32831454
N-[(4-bromothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 98862254
methyl 4-[[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]methyl]benzoate
CID 55348887
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 41283239
3-[3-[(5-chlorothiophen-2-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 77033251
N-(4-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9164162
N-[3-(N-methylanilino)propyl]-4-[[(Z)-2-phenylethenyl]sulfonylamino]benzamide
CID 97428973
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
5-chloro-N-[(E)-2-phenylethenyl]sulfonylthiophene-2-carboxamide
CID 47233266
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
1-phenyl-3-[[4-[[(E)-2-phenylethenyl]sulfonylamino]benzoyl]amino]thiourea
CID 24644076
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide (CID 32831449) is N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is O=C(NCc1ccc(Cl)s1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
The InChIKey is MLKPPKRABOKORX-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H17ClN2O3S2/c21-19-11-10-18(27-19)14-22-20(24)16-6-8-17(9-7-16)23-28(25,26)13-12-15-4-2-1-3-5-15/h1-13,23H,14H2,(H,22,24)/b13-12+.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide has a molecular weight of 432.95 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide is sourced from PubChem (CID 32831449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).