N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide

C26H25N3O4S3 — CID 10370036

IUPACN-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C26H25N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-12,15H,13-14,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33)
InChIKeyQRFVHZHVEXDKHB-UHFFFAOYSA-N
MW539.70 g/mol
LogP4.50
Rot. Bonds10

About N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide

N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide (PubChem CID 10370036) has the molecular formula C26H25N3O4S3 and a molecular weight of 539.70 g/mol. Its IUPAC name is N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide.

Molecular Properties

Compound NameN-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide
PubChem CID10370036
Molecular FormulaC26H25N3O4S3
Molecular Weight539.70 g/mol
Exact Mass539.10
IUPAC NameN-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C26H25N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-12,15H,13-14,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33)
InChIKeyQRFVHZHVEXDKHB-UHFFFAOYSA-N
XLogP4.50
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.70
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N-(2-phenylethyl)-4-[(thien-2-ylsulfonyl)amino]butanamide
CID 16194039
3-[(4-methylbenzyl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3241727
4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(thien-2-ylmethyl)cyclohexanecarboxamide
CID 5096183
trans-(1S,2S)-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-2-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclobutane-1,2-dicarboxamide
CID 44391429
trans-(1S,2S)-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide
CID 44391527
cis-(1R,2S)-2-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-1-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide
CID 44391535
(Z)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]but-2-enediamide
CID 44391538
trans-(1S,2S)-1-N-[1-[4-(2-sulfamoylphenyl)phenyl]ethyl]-2-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide
CID 44391543
trans-(1R,2R)-3-methylidene-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-2-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopropane-1,2-dicarboxamide
CID 44391545
trans-(1S,2S)-1-N-methyl-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-2-N-[(5-thiophen-2-ylthiophen-2-yl)methyl]cyclopentane-1,2-dicarboxamide
CID 44391558

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide?
The IUPAC name of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide (CID 10370036) is N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide.
What is the SMILES notation for N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide?
The canonical SMILES for N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide is NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide?
The InChIKey is QRFVHZHVEXDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-12,15H,13-14,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33).
What are the key properties of N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide?
N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide has a molecular weight of 539.70 g/mol, XLogP of 4.50, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-sulfamoylphenyl)phenyl]methyl]-N'-[(5-thiophen-2-ylthiophen-2-yl)methyl]butanediamide is sourced from PubChem (CID 10370036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).