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

C21H28N2O3S — CID 24822139

IUPACN-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
SMILESCCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2
InChIInChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)/t12-,13+,14?,21?
InChIKeyVMWBKOHAYXYOPX-LSSCCRBESA-N
MW388.53 g/mol
LogP3.73
Rot. Bonds5

About 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

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 (PubChem CID 24822139) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID24822139
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-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
SMILESCCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2
InChIInChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)/t12-,13+,14?,21?
InChIKeyVMWBKOHAYXYOPX-LSSCCRBESA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-[(3,5-diethylbicyclo[2.2.0]hexane-1-carbonyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 162685445
N-(3-hydroxypropyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68910178
ethyl 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 68905944
propan-2-yl 2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 68908736
N-(oxan-4-ylmethyl)-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68905692
N-[3-(3,3-difluoroazetidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
CID 68904317
ethyl 2-[(2-phenylbicyclo[2.2.1]heptane-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 68906731
N-butyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 68904040
2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-[(3-methylbenzoyl)amino]-N-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2298643
ethyl 5-ethyl-2-(tricyclo[3.3.1.03,7]nonane-3-carbonylamino)thiophene-3-carboxylate
CID 68904069

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2.
What is the InChIKey of 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?
The InChIKey is VMWBKOHAYXYOPX-LSSCCRBESA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-4-22-18(24)17-15-3-5-26-11-16(15)27-19(17)23-20(25)21-9-12-6-13(10-21)8-14(21)7-12/h12-14H,2-11H2,1H3,(H,22,24)(H,23,25)/t12-,13+,14?,21?.
What are the key properties of 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?
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 has a molecular weight of 388.53 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24822139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).