2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide

C17H27NO4S — CID 86992855

IUPAC2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H27NO4S/c1-13(2)10-18(11-14(3)4)17(19)12-23(20,21)16-8-6-15(22-5)7-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyMZOASQVVWQAYFL-UHFFFAOYSA-N
MW341.47 g/mol
LogP2.61
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide

2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide (PubChem CID 86992855) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
PubChem CID86992855
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C17H27NO4S/c1-13(2)10-18(11-14(3)4)17(19)12-23(20,21)16-8-6-15(22-5)7-9-16/h6-9,13-14H,10-12H2,1-5H3
InChIKeyMZOASQVVWQAYFL-UHFFFAOYSA-N
XLogP2.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
CID 86992926
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N,N-bis(2-methylpropyl)benzamide
CID 20854207
2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
N-(2-cyanoethyl)-2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 64691795
2-[(4-methoxyphenyl)sulfonylmethyl]prop-2-enoic acid
CID 18459278
(2R)-3-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid
CID 28753247
1-cyclopropyl-2-(4-methoxyphenyl)sulfonylethanone
CID 64642343
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738
2-[[2-(4-methoxyphenyl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 62032808
3-(4-methoxyphenyl)sulfonylpropan-1-ol
CID 18411970
N-[(4-methoxyphenyl)sulfonylmethyl]propan-2-amine
CID 117036381

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide (CID 86992855) is 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide is COc1ccc(S(=O)(=O)CC(=O)N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is MZOASQVVWQAYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-13(2)10-18(11-14(3)4)17(19)12-23(20,21)16-8-6-15(22-5)7-9-16/h6-9,13-14H,10-12H2,1-5H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide?
2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 341.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 86992855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).