N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide

C17H24N2O4S — CID 91785227

IUPACN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C
InChIInChI=1S/C17H24N2O4S/c1-19(2)16(20)11-23-14-10-22-9-8-13(14)18-17(21)12-6-4-5-7-15(12)24-3/h4-7,13-14H,8-11H2,1-3H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyBGBBFIDDPCJOFM-ZIAGYGMSSA-N
MW352.46 g/mol
LogP1.40
Rot. Bonds6

About N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide

N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide (PubChem CID 91785227) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
PubChem CID91785227
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C
InChIInChI=1S/C17H24N2O4S/c1-19(2)16(20)11-23-14-10-22-9-8-13(14)18-17(21)12-6-4-5-7-15(12)24-3/h4-7,13-14H,8-11H2,1-3H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyBGBBFIDDPCJOFM-ZIAGYGMSSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
CID 91767911
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 91772540
3-chloro-N-[(3R,4S)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-4-fluorobenzamide
CID 164636415
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 91797893
N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
CID 91798255
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methyl-1-benzofuran-5-carboxamide
CID 91778744
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 90647703
2-[(3S,4R)-4-[(2-ethoxypyridine-3-carbonyl)amino]oxan-3-yl]oxyacetic acid
CID 91783970
2-[(3S,4R)-4-(methanesulfonamido)oxan-3-yl]oxy-N,N-dimethylacetamide
CID 91795253
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91793018
N-(2-amino-4-ethoxycyclobutyl)-2-methylsulfanylbenzamide
CID 79217631
2-ethoxy-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyridine-3-carboxamide
CID 91764796

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide (CID 91785227) is N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide?
The InChIKey is BGBBFIDDPCJOFM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-19(2)16(20)11-23-14-10-22-9-8-13(14)18-17(21)12-6-4-5-7-15(12)24-3/h4-7,13-14H,8-11H2,1-3H3,(H,18,21)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide?
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 91785227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).