(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide

C18H22N2O2S — CID 124887400

IUPAC(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
SMILESCC(C)[C@@H]1OCC[C@H]1C(=O)N(Cc1ccsc1)c1cccnc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)17-16(5-8-22-17)18(21)20(11-14-6-9-23-12-14)15-4-3-7-19-10-15/h3-4,6-7,9-10,12-13,16-17H,5,8,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyRUCNXKRHMCJIAX-SJORKVTESA-N
MW330.45 g/mol
LogP3.74
Rot. Bonds5

About (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide

(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide (PubChem CID 124887400) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
PubChem CID124887400
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
SMILESCC(C)[C@@H]1OCC[C@H]1C(=O)N(Cc1ccsc1)c1cccnc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)17-16(5-8-22-17)18(21)20(11-14-6-9-23-12-14)15-4-3-7-19-10-15/h3-4,6-7,9-10,12-13,16-17H,5,8,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyRUCNXKRHMCJIAX-SJORKVTESA-N
XLogP3.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129402819
7-methoxy-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 167768521
2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976864
trans-(1S,2S)-2-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129466411
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
4-[phenyl(thiophen-3-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674156
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 74237314
trans-(1S,3S)-3-amino-N-phenyl-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 124591120
4-cyano-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
CID 99838969
3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea
CID 97280028
N-phenyl-N-(thiophen-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119314158

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide (CID 124887400) is (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide is CC(C)[C@@H]1OCC[C@H]1C(=O)N(Cc1ccsc1)c1cccnc1.
What is the InChIKey of (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
The InChIKey is RUCNXKRHMCJIAX-SJORKVTESA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(2)17-16(5-8-22-17)18(21)20(11-14-6-9-23-12-14)15-4-3-7-19-10-15/h3-4,6-7,9-10,12-13,16-17H,5,8,11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide?
(2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-propan-2-yl-N-pyridin-3-yl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 124887400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).