2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C22H29N3O4S — CID 4786767

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-24(16-18-9-4-5-12-21(18)29-2)17-22(26)23-19-10-8-11-20(15-19)30(27,28)25-13-6-3-7-14-25/h4-5,8-12,15H,3,6-7,13-14,16-17H2,1-2H3,(H,23,26)
InChIKeyBAVCKLDSBOFXTN-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.94
Rot. Bonds8

About 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 4786767) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID4786767
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-24(16-18-9-4-5-12-21(18)29-2)17-22(26)23-19-10-8-11-20(15-19)30(27,28)25-13-6-3-7-14-25/h4-5,8-12,15H,3,6-7,13-14,16-17H2,1-2H3,(H,23,26)
InChIKeyBAVCKLDSBOFXTN-UHFFFAOYSA-N
XLogP2.94
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8794719
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 27652183
3-[methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]propanoic acid
CID 119911319
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8692183
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
2-(5-acetyl-2-methoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 17428360
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 4831106
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylphenoxy)propanamide
CID 9449724
2-(2-methylphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8614711
2-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55838681
2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 4786767) is 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccccc1CN(C)CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BAVCKLDSBOFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-24(16-18-9-4-5-12-21(18)29-2)17-22(26)23-19-10-8-11-20(15-19)30(27,28)25-13-6-3-7-14-25/h4-5,8-12,15H,3,6-7,13-14,16-17H2,1-2H3,(H,23,26).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4786767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).