N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide

C18H21NO4S — CID 170513239

IUPACN,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C18H21NO4S/c1-12-9-15(14-3-6-22-7-4-14)23-18(21)16(12)17(20)19(2)10-13-5-8-24-11-13/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3
InChIKeyYVSBVFVUMHVNCZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.18
Rot. Bonds4

About N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide

N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide (PubChem CID 170513239) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide
PubChem CID170513239
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C18H21NO4S/c1-12-9-15(14-3-6-22-7-4-14)23-18(21)16(12)17(20)19(2)10-13-5-8-24-11-13/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3
InChIKeyYVSBVFVUMHVNCZ-UHFFFAOYSA-N
XLogP3.18
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505711
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
N,3,5-trimethyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43581982
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
5-chloro-N-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 31791583
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2-(cyclopentylmethyl)-N,6-dimethyl-4-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 28809464
N-methyl-6-morpholin-4-yl-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 18163518
7-amino-N,8,8-trimethyl-N-(thiophen-3-ylmethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945364
2-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide?
The IUPAC name of N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide (CID 170513239) is N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide?
The canonical SMILES for N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)N(C)Cc1ccsc1.
What is the InChIKey of N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide?
The InChIKey is YVSBVFVUMHVNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-9-15(14-3-6-22-7-4-14)23-18(21)16(12)17(20)19(2)10-13-5-8-24-11-13/h5,8-9,11,14H,3-4,6-7,10H2,1-2H3.
What are the key properties of N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide?
N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide is sourced from PubChem (CID 170513239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).