N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide

C20H26N2O5S — CID 30168410

IUPACN-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)c1
InChIInChI=1S/C20H26N2O5S/c1-14(2)15-9-10-18(27-5)19(11-15)28(24,25)22(3)13-20(23)21-16-7-6-8-17(12-16)26-4/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyOQWIUTCDKPZHKX-UHFFFAOYSA-N
MW406.50 g/mol
LogP3.09
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide

N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 30168410) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
PubChem CID30168410
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)c1
InChIInChI=1S/C20H26N2O5S/c1-14(2)15-9-10-18(27-5)19(11-15)28(24,25)22(3)13-20(23)21-16-7-6-8-17(12-16)26-4/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyOQWIUTCDKPZHKX-UHFFFAOYSA-N
XLogP3.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168363
N-(4-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168353
N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168365
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168355
N-(2-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168349
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 30168528
2-[[4-(difluoromethylsulfonyl)phenyl]sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 34055693
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 2219300
N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1022058

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide (CID 30168410) is N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide is COc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(C)C)ccc2OC)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is OQWIUTCDKPZHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(2)15-9-10-18(27-5)19(11-15)28(24,25)22(3)13-20(23)21-16-7-6-8-17(12-16)26-4/h6-12,14H,13H2,1-5H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide?
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 406.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 30168410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).