N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

C19H22N2O3S — CID 29134177

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESCN(C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccco1
InChIInChI=1S/C19H22N2O3S/c1-21(2)15(16-9-6-10-23-16)13-20-19(22)17-18(25-12-11-24-17)14-7-4-3-5-8-14/h3-10,15H,11-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyCMQMHICURGBOGE-HNNXBMFYSA-N
MW358.46 g/mol
LogP3.13
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 29134177) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID29134177
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESCN(C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccco1
InChIInChI=1S/C19H22N2O3S/c1-21(2)15(16-9-6-10-23-16)13-20-19(22)17-18(25-12-11-24-17)14-7-4-3-5-8-14/h3-10,15H,11-13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyCMQMHICURGBOGE-HNNXBMFYSA-N
XLogP3.13
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide;hydrochloride
CID 45369582
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
5-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 42652438
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 46528850
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 51195690
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47447577
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465992
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 94177772
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 4878728

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 29134177) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide is CN(C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccco1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is CMQMHICURGBOGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-21(2)15(16-9-6-10-23-16)13-20-19(22)17-18(25-12-11-24-17)14-7-4-3-5-8-14/h3-10,15H,11-13H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 29134177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).