2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide

C24H26N2O4S2 — CID 46579996

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCCc1ccc(C(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-4-18-7-9-20(10-8-18)24(22-6-5-15-31-22)25-23(28)16-26(3)32(29,30)21-13-11-19(12-14-21)17(2)27/h5-15,24H,4,16H2,1-3H3,(H,25,28)
InChIKeyWKHVFVJTCHAGFC-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.04
Rot. Bonds9

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 46579996) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID46579996
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCCc1ccc(C(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O4S2/c1-4-18-7-9-20(10-8-18)24(22-6-5-15-31-22)25-23(28)16-26(3)32(29,30)21-13-11-19(12-14-21)17(2)27/h5-15,24H,4,16H2,1-3H3,(H,25,28)
InChIKeyWKHVFVJTCHAGFC-UHFFFAOYSA-N
XLogP4.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55666005
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-phenylacetamide
CID 7669881
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24683564
3-acetyl-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 9189330
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695427
4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100503817
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(furan-2-yl)propanamide
CID 46449917
(3S)-3-(carbamoylamino)-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-phenylpropanamide
CID 41306258
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(2-methylphenoxy)acetamide
CID 7669993
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917
methyl 3-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]-3-(4-chlorophenyl)propanoate
CID 55533629

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide (CID 46579996) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide is CCc1ccc(C(NC(=O)CN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)c2cccs2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is WKHVFVJTCHAGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c1-4-18-7-9-20(10-8-18)24(22-6-5-15-31-22)25-23(28)16-26(3)32(29,30)21-13-11-19(12-14-21)17(2)27/h5-15,24H,4,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 470.62 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(4-ethylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 46579996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).