2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C22H30N2O3S — CID 68910242

IUPAC2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2
InChIInChI=1S/C22H30N2O3S/c1-2-4-23-19(25)18-16-3-5-27-12-17(16)28-20(18)24-21(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,2-12H2,1H3,(H,23,25)(H,24,26)
InChIKeySAWOOBBZRYRBER-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.12
Rot. Bonds5

About 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 68910242) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID68910242
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2
InChIInChI=1S/C22H30N2O3S/c1-2-4-23-19(25)18-16-3-5-27-12-17(16)28-20(18)24-21(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,2-12H2,1H3,(H,23,25)(H,24,26)
InChIKeySAWOOBBZRYRBER-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 25160840
CID 25160840
N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68909935
Ethyl 2-(adamantane-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2846758
N-propyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25159779
N-[3-(morpholin-4-ylcarbonyl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl]hexahydro-2,5-methanopentalene-3a(1H)-carboxamide
CID 25159780
N-(2-methoxyethyl)-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25159912
N-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25159915
2-(2-oxatricyclo[3.3.1.13,7]decane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 25160046
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68904230
Methyl 2-[(1-adamantylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2850042
Methyl 2-(adamantanylcarbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 2853642
Methyl 2-(adamantanylcarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4559116

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 68910242) is 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is CCCNC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCOC2.
What is the InChIKey of 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is SAWOOBBZRYRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-2-4-23-19(25)18-16-3-5-27-12-17(16)28-20(18)24-21(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,2-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonylamino)-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 68910242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).