N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide

C15H16N2O4S2 — CID 34102952

IUPACN-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCOc3ccccc32)s1
InChIInChI=1S/C15H16N2O4S2/c1-11(18)16-10-12-6-7-15(22-12)23(19,20)17-8-9-21-14-5-3-2-4-13(14)17/h2-7H,8-10H2,1H3,(H,16,18)
InChIKeyJMTFCUZYMANMCU-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.97
Rot. Bonds4

About N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide

N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide (PubChem CID 34102952) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide
PubChem CID34102952
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC NameN-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCOc3ccccc32)s1
InChIInChI=1S/C15H16N2O4S2/c1-11(18)16-10-12-6-7-15(22-12)23(19,20)17-8-9-21-14-5-3-2-4-13(14)17/h2-7H,8-10H2,1H3,(H,16,18)
InChIKeyJMTFCUZYMANMCU-UHFFFAOYSA-N
XLogP1.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide
CID 139005310
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 47006141
N-[[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793291
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
N-[[5-(4-methyl-2-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 60594688
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
N-[[4-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]methyl]acetamide
CID 43071892
(3S)-1-[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-N,N-dimethylpiperidine-3-carboxamide
CID 52522518

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide (CID 34102952) is N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCOc3ccccc32)s1.
What is the InChIKey of N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide?
The InChIKey is JMTFCUZYMANMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-11(18)16-10-12-6-7-15(22-12)23(19,20)17-8-9-21-14-5-3-2-4-13(14)17/h2-7H,8-10H2,1H3,(H,16,18).
What are the key properties of N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide?
N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 34102952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).