N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

C16H25N3O4S — CID 6492327

IUPACN-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1NC(C)=O
InChIInChI=1S/C16H25N3O4S/c1-4-18-8-10-19(11-9-18)24(21,22)14-6-7-16(23-5-2)15(12-14)17-13(3)20/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,20)
InChIKeyMXXJZXPQIMVVLY-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.37
Rot. Bonds6

About N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide

N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 6492327) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID6492327
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1NC(C)=O
InChIInChI=1S/C16H25N3O4S/c1-4-18-8-10-19(11-9-18)24(21,22)14-6-7-16(23-5-2)15(12-14)17-13(3)20/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,20)
InChIKeyMXXJZXPQIMVVLY-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
N'-amino-2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylbenzenecarboximidamide
CID 87274597
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide
CID 9190138
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691
N-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-fluorobenzamide
CID 6492315

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 6492327) is N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is CCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1NC(C)=O.
What is the InChIKey of N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is MXXJZXPQIMVVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-4-18-8-10-19(11-9-18)24(21,22)14-6-7-16(23-5-2)15(12-14)17-13(3)20/h6-7,12H,4-5,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide?
N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 6492327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).