2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide

C25H28N2O5S — CID 30174005

IUPAC2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C25H28N2O5S/c1-19(2)32-23-15-14-20(16-24(23)31-3)17-26-25(28)18-27(21-10-6-4-7-11-21)33(29,30)22-12-8-5-9-13-22/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyNAVJIMUOGDMBBH-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.99
Rot. Bonds10

About 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30174005) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID30174005
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1OC(C)C
InChIInChI=1S/C25H28N2O5S/c1-19(2)32-23-15-14-20(16-24(23)31-3)17-26-25(28)18-27(21-10-6-4-7-11-21)33(29,30)22-12-8-5-9-13-22/h4-16,19H,17-18H2,1-3H3,(H,26,28)
InChIKeyNAVJIMUOGDMBBH-UHFFFAOYSA-N
XLogP3.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202029
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30203960
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 43892856
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202889
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30400747
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30304410
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 43896982
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30273922
2-(N-(4-methoxyphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 28634203

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide (CID 30174005) is 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)ccc1OC(C)C.
What is the InChIKey of 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is NAVJIMUOGDMBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-19(2)32-23-15-14-20(16-24(23)31-3)17-26-25(28)18-27(21-10-6-4-7-11-21)33(29,30)22-12-8-5-9-13-22/h4-16,19H,17-18H2,1-3H3,(H,26,28).
What are the key properties of 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30174005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).