N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C26H32N2O3S2 — CID 3437508

IUPACN-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)CC(C)C)cc1
InChIInChI=1S/C26H32N2O3S2/c1-20(2)16-28(33(30,31)24-12-10-21(3)11-13-24)19-26(29)27(17-23-8-6-5-7-9-23)18-25-22(4)14-15-32-25/h5-15,20H,16-19H2,1-4H3
InChIKeyRFRFCDIDPNONCX-UHFFFAOYSA-N
MW484.69 g/mol
LogP5.24
Rot. Bonds10

About N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 3437508) has the molecular formula C26H32N2O3S2 and a molecular weight of 484.69 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID3437508
Molecular FormulaC26H32N2O3S2
Molecular Weight484.69 g/mol
Exact Mass484.19
IUPAC NameN-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)CC(C)C)cc1
InChIInChI=1S/C26H32N2O3S2/c1-20(2)16-28(33(30,31)24-12-10-21(3)11-13-24)19-26(29)27(17-23-8-6-5-7-9-23)18-25-22(4)14-15-32-25/h5-15,20H,16-19H2,1-4H3
InChIKeyRFRFCDIDPNONCX-UHFFFAOYSA-N
XLogP5.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3645959
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3627768
N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-[(4-nitrophenyl)sulfonyl-propan-2-ylamino]acetamide
CID 5061131
N-benzyl-2-[dimethylcarbamoyl(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4670444
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-(3-methoxypropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5064445
N-benzyl-2-[butan-2-yl-(4-methoxyphenyl)sulfonylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3509212
N-benzyl-2-[(4-tert-butylphenyl)sulfonyl-(3-ethoxypropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 5233204
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 4106870
2-[(4-acetamidophenyl)sulfonyl-(3-ethoxypropyl)amino]-N-benzyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4565520
N-benzyl-2-[3-ethoxypropyl(naphthalen-2-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4206061
2-[(4-acetamidophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-benzyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3680131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 3437508) is N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)CC(C)C)cc1.
What is the InChIKey of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is RFRFCDIDPNONCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S2/c1-20(2)16-28(33(30,31)24-12-10-21(3)11-13-24)19-26(29)27(17-23-8-6-5-7-9-23)18-25-22(4)14-15-32-25/h5-15,20H,16-19H2,1-4H3.
What are the key properties of N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 484.69 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 3437508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).