2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

C22H29N3O4S — CID 71825357

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-17-4-10-21(11-5-17)30(27,28)25(3)16-22(26)23-18-6-8-19(9-7-18)29-20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26)
InChIKeyBGTXMDCWCOPCPA-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.73
Rot. Bonds7

About 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (PubChem CID 71825357) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
PubChem CID71825357
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O4S/c1-17-4-10-21(11-5-17)30(27,28)25(3)16-22(26)23-18-6-8-19(9-7-18)29-20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26)
InChIKeyBGTXMDCWCOPCPA-UHFFFAOYSA-N
XLogP2.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99971095
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 131905975
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 30227923
N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 37400572
(3R)-1-(4-methylphenyl)sulfonyl-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]piperidine-3-carboxamide
CID 100666928
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (CID 71825357) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The InChIKey is BGTXMDCWCOPCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17-4-10-21(11-5-17)30(27,28)25(3)16-22(26)23-18-6-8-19(9-7-18)29-20-12-14-24(2)15-13-20/h4-11,20H,12-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 71825357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).