N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

C22H23N3O4S2 — CID 33026888

IUPACN-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-15(2)14-20(26)23-17-9-11-18(12-10-17)24-22(27)16-5-7-19(8-6-16)25-31(28,29)21-4-3-13-30-21/h3-13,15,25H,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCZERXCWSCYVPFH-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.79
Rot. Bonds8

About N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide

N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 33026888) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID33026888
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-15(2)14-20(26)23-17-9-11-18(12-10-17)24-22(27)16-5-7-19(8-6-16)25-31(28,29)21-4-3-13-30-21/h3-13,15,25H,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCZERXCWSCYVPFH-UHFFFAOYSA-N
XLogP4.79
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methylheptan-2-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 46515976
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24680132
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 43908824
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
N-[4-(3-methylbutanoylamino)phenyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 33033292

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide (CID 33026888) is N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is CZERXCWSCYVPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-15(2)14-20(26)23-17-9-11-18(12-10-17)24-22(27)16-5-7-19(8-6-16)25-31(28,29)21-4-3-13-30-21/h3-13,15,25H,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 457.58 g/mol, XLogP of 4.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 33026888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).