2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

C22H29N3O4S — CID 99971095

IUPAC2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O4S/c1-17-5-4-6-19(15-17)25(30(3,27)28)16-22(26)23-18-7-9-20(10-8-18)29-21-11-13-24(2)14-12-21/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyAWNDVCOMNDNBTE-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.87
Rot. Bonds7

About 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide

2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (PubChem CID 99971095) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
PubChem CID99971095
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H29N3O4S/c1-17-5-4-6-19(15-17)25(30(3,27)28)16-22(26)23-18-7-9-20(10-8-18)29-21-11-13-24(2)14-12-21/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,26)
InChIKeyAWNDVCOMNDNBTE-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217842
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 71825357
N-(4-cyclopentyloxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30221490
4-(2-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100627533
N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221074
N-(4-cyclopentyloxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220186
4-(2-methoxy-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100758557
(2R)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(N-methylsulfonylanilino)butanamide
CID 99972291
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 1075752
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
CID 30223452
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide (CID 99971095) is 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is Cc1cccc(N(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
The InChIKey is AWNDVCOMNDNBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17-5-4-6-19(15-17)25(30(3,27)28)16-22(26)23-18-7-9-20(10-8-18)29-21-11-13-24(2)14-12-21/h4-10,15,21H,11-14,16H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide?
2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 99971095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).