N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

C21H20N2O5S2 — CID 15988744

IUPACN-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H20N2O5S2/c1-28-18-10-8-17(9-11-18)23-21(25)15-4-6-16(7-5-15)22-19(24)12-14-30(26,27)20-3-2-13-29-20/h2-11,13H,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyAUJOMXQCULDSBG-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.81
Rot. Bonds8

About N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide

N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (PubChem CID 15988744) has the molecular formula C21H20N2O5S2 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
PubChem CID15988744
Molecular FormulaC21H20N2O5S2
Molecular Weight444.53 g/mol
Exact Mass444.08
IUPAC NameN-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H20N2O5S2/c1-28-18-10-8-17(9-11-18)23-21(25)15-4-6-16(7-5-15)22-19(24)12-14-30(26,27)20-3-2-13-29-20/h2-11,13H,12,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyAUJOMXQCULDSBG-UHFFFAOYSA-N
XLogP3.81
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide (CID 15988744) is N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
The InChIKey is AUJOMXQCULDSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S2/c1-28-18-10-8-17(9-11-18)23-21(25)15-4-6-16(7-5-15)22-19(24)12-14-30(26,27)20-3-2-13-29-20/h2-11,13H,12,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide?
N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide has a molecular weight of 444.53 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(3-thiophen-2-ylsulfonylpropanoylamino)benzamide is sourced from PubChem (CID 15988744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).