4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide

C23H26N2O4S2 — CID 55825217

IUPAC4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NC(c2ccc(CC(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-16(2)15-17-6-8-18(9-7-17)22(21-5-4-14-30-21)24-23(26)19-10-12-20(13-11-19)31(27,28)25-29-3/h4-14,16,22,25H,15H2,1-3H3,(H,24,26)
InChIKeyIDYSOTBRLYLNKK-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.31
Rot. Bonds9

About 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide

4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide (PubChem CID 55825217) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide
PubChem CID55825217
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC Name4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)NC(c2ccc(CC(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C23H26N2O4S2/c1-16(2)15-17-6-8-18(9-7-17)22(21-5-4-14-30-21)24-23(26)19-10-12-20(13-11-19)31(27,28)25-29-3/h4-14,16,22,25H,15H2,1-3H3,(H,24,26)
InChIKeyIDYSOTBRLYLNKK-UHFFFAOYSA-N
XLogP4.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 74756714
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(carbamoylamino)benzamide
CID 46534391
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
CID 9126245
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46534600
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41411582
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540

Frequently Asked Questions

What is the IUPAC name of 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide (CID 55825217) is 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide is CONS(=O)(=O)c1ccc(C(=O)NC(c2ccc(CC(C)C)cc2)c2cccs2)cc1.
What is the InChIKey of 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide?
The InChIKey is IDYSOTBRLYLNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-16(2)15-17-6-8-18(9-7-17)22(21-5-4-14-30-21)24-23(26)19-10-12-20(13-11-19)31(27,28)25-29-3/h4-14,16,22,25H,15H2,1-3H3,(H,24,26).
What are the key properties of 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide?
4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide has a molecular weight of 458.61 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 55825217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).