2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

C29H35N3O7S2 — CID 43874671

IUPAC2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCOc1cccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C29H35N3O7S2/c1-22-10-15-27(39-3)28(18-22)41(36,37)32(24-8-7-9-25(19-24)38-2)21-29(33)30-20-23-11-13-26(14-12-23)40(34,35)31-16-5-4-6-17-31/h7-15,18-19H,4-6,16-17,20-21H2,1-3H3,(H,30,33)
InChIKeyDWOOTDULGGBMET-UHFFFAOYSA-N
MW601.75 g/mol
LogP3.70
Rot. Bonds11

About 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide

2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 43874671) has the molecular formula C29H35N3O7S2 and a molecular weight of 601.75 g/mol. Its IUPAC name is 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID43874671
Molecular FormulaC29H35N3O7S2
Molecular Weight601.75 g/mol
Exact Mass601.19
IUPAC Name2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESCOc1cccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C29H35N3O7S2/c1-22-10-15-27(39-3)28(18-22)41(36,37)32(24-8-7-9-25(19-24)38-2)21-29(33)30-20-23-11-13-26(14-12-23)40(34,35)31-16-5-4-6-17-31/h7-15,18-19H,4-6,16-17,20-21H2,1-3H3,(H,30,33)
InChIKeyDWOOTDULGGBMET-UHFFFAOYSA-N
XLogP3.70
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874657
2-(4-ethoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874677
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100797142
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874664
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547274
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561386
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28561285
2-(3-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772719
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43891904
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861855
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide (CID 43874671) is 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is COc1cccc(N(CC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)S(=O)(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is DWOOTDULGGBMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O7S2/c1-22-10-15-27(39-3)28(18-22)41(36,37)32(24-8-7-9-25(19-24)38-2)21-29(33)30-20-23-11-13-26(14-12-23)40(34,35)31-16-5-4-6-17-31/h7-15,18-19H,4-6,16-17,20-21H2,1-3H3,(H,30,33).
What are the key properties of 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide?
2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 601.75 g/mol, XLogP of 3.70, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 43874671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).