N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C22H32N2O4S — CID 68905692

IUPACN-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCC2CCOCC2)CCOC3)C1(C)C
InChIInChI=1S/C22H32N2O4S/c1-21(2)17(22(21,3)4)19(26)24-20-16(14-7-10-28-12-15(14)29-20)18(25)23-11-13-5-8-27-9-6-13/h13,17H,5-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyXGHNARPPCWGNQM-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.60
Rot. Bonds5

About N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 68905692) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID68905692
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCC2CCOCC2)CCOC3)C1(C)C
InChIInChI=1S/C22H32N2O4S/c1-21(2)17(22(21,3)4)19(26)24-20-16(14-7-10-28-12-15(14)29-20)18(25)23-11-13-5-8-27-9-6-13/h13,17H,5-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyXGHNARPPCWGNQM-UHFFFAOYSA-N
XLogP3.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68910178
N-butyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68904040
N-methyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68909831
N-propyl-2-[[(1S,5R)-tricyclo[3.3.1.03,7]nonane-3-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 24822139
N-(5-hydroxypentyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68904162
2-(oxolane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69447723
N-[3-(3-methoxypropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]oxane-4-carboxamide
CID 31967351
2-(cycloheptanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
CID 68775961
2'-(cyclopropanecarbonylamino)-N-(cyclopropylmethyl)-4'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]-3'-carboxamide
CID 156754773
N-(2-hydroxybutyl)-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25160318
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 68906817
2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448827

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 68905692) is N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is CC1(C)C(C(=O)Nc2sc3c(c2C(=O)NCC2CCOCC2)CCOC3)C1(C)C.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is XGHNARPPCWGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-21(2)17(22(21,3)4)19(26)24-20-16(14-7-10-28-12-15(14)29-20)18(25)23-11-13-5-8-27-9-6-13/h13,17H,5-12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 68905692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).