4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide

C24H24N2O4S2 — CID 24548150

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-3-14-26(17-22-5-4-15-31-22)24(28)21-8-6-19(7-9-21)16-25-32(29,30)23-12-10-20(11-13-23)18(2)27/h3-13,15,25H,1,14,16-17H2,2H3
InChIKeyCWMQYKXGVGEJLP-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.26
Rot. Bonds10

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 24548150) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID24548150
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
SMILESC=CCN(Cc1cccs1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-3-14-26(17-22-5-4-15-31-22)24(28)21-8-6-19(7-9-21)16-25-32(29,30)23-12-10-20(11-13-23)18(2)27/h3-13,15,25H,1,14,16-17H2,2H3
InChIKeyCWMQYKXGVGEJLP-UHFFFAOYSA-N
XLogP4.26
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4-(prop-2-enylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18116029
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
CID 29373491
3-[4-(methylsulfamoyl)phenyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
CID 51207453
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
4-chloro-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801544
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-prop-2-enylbenzamide
CID 3957992
4-bromo-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801601
4-tert-butyl-N-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]benzamide
CID 31330549
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3206933

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide (CID 24548150) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide is C=CCN(Cc1cccs1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CWMQYKXGVGEJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-3-14-26(17-22-5-4-15-31-22)24(28)21-8-6-19(7-9-21)16-25-32(29,30)23-12-10-20(11-13-23)18(2)27/h3-13,15,25H,1,14,16-17H2,2H3.
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 468.60 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 24548150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).