N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C19H18N2O4S2 — CID 15997618

IUPACN-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-25-17-6-3-2-5-15(17)13-20-19(22)14-8-10-16(11-9-14)21-27(23,24)18-7-4-12-26-18/h2-12,21H,13H2,1H3,(H,20,22)
InChIKeySBGZCDQOLYHMEE-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.49
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 15997618) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID15997618
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H18N2O4S2/c1-25-17-6-3-2-5-15(17)13-20-19(22)14-8-10-16(11-9-14)21-27(23,24)18-7-4-12-26-18/h2-12,21H,13H2,1H3,(H,20,22)
InChIKeySBGZCDQOLYHMEE-UHFFFAOYSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55578020
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-[[4-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37316745
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775955
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
N-[[3-(methoxymethyl)phenyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55727615
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 15997618) is N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is SBGZCDQOLYHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-25-17-6-3-2-5-15(17)13-20-19(22)14-8-10-16(11-9-14)21-27(23,24)18-7-4-12-26-18/h2-12,21H,13H2,1H3,(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 402.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 15997618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).