4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide

C24H28N2O4S2 — CID 74756714

IUPAC4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(c2ccc(C(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C24H28N2O4S2/c1-17(2)18-6-8-19(9-7-18)23(22-5-4-16-31-22)26-24(27)20-10-12-21(13-11-20)32(28,29)25-14-15-30-3/h4-13,16-17,23,25H,14-15H2,1-3H3,(H,26,27)
InChIKeyAWPSRSLFSDWWNQ-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.32
Rot. Bonds10

About 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide

4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 74756714) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID74756714
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC Name4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)NC(c2ccc(C(C)C)cc2)c2cccs2)cc1
InChIInChI=1S/C24H28N2O4S2/c1-17(2)18-6-8-19(9-7-18)23(22-5-4-16-31-22)26-24(27)20-10-12-21(13-11-20)32(28,29)25-14-15-30-3/h4-13,16-17,23,25H,14-15H2,1-3H3,(H,26,27)
InChIKeyAWPSRSLFSDWWNQ-UHFFFAOYSA-N
XLogP4.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methoxysulfamoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]benzamide
CID 55825217
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
N-[(3-chlorophenyl)-phenylmethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55968741
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90524166
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
(2R,3S)-3-[[4-(2-methoxyethylsulfamoyl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324356
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
methyl 3-[[4-(ethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46534149
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(carbamoylamino)benzamide
CID 46534391
3-(cyclopropylsulfamoyl)-N-[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide
CID 41307479
N-(1-amino-4-methylpentan-2-yl)-4-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119586887

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide (CID 74756714) is 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide is COCCNS(=O)(=O)c1ccc(C(=O)NC(c2ccc(C(C)C)cc2)c2cccs2)cc1.
What is the InChIKey of 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is AWPSRSLFSDWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-17(2)18-6-8-19(9-7-18)23(22-5-4-16-31-22)26-24(27)20-10-12-21(13-11-20)32(28,29)25-14-15-30-3/h4-13,16-17,23,25H,14-15H2,1-3H3,(H,26,27).
What are the key properties of 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide?
4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 472.63 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 74756714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).