2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide

C16H16N2O3S — CID 136587051

IUPAC2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c1
InChIInChI=1S/C16H16N2O3S/c17-15(20)10-7-13(22-8-10)16(21)18-14-11-4-2-1-3-9(11)5-6-12(14)19/h1-4,7-8,12,14,19H,5-6H2,(H2,17,20)(H,18,21)/t12-,14+/m1/s1
InChIKeyNFCKNNGACCWMPM-OCCSQVGLSA-N
MW316.38 g/mol
LogP1.63
Rot. Bonds3

About 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide

2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide (PubChem CID 136587051) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide
PubChem CID136587051
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c1
InChIInChI=1S/C16H16N2O3S/c17-15(20)10-7-13(22-8-10)16(21)18-14-11-4-2-1-3-9(11)5-6-12(14)19/h1-4,7-8,12,14,19H,5-6H2,(H2,17,20)(H,18,21)/t12-,14+/m1/s1
InChIKeyNFCKNNGACCWMPM-OCCSQVGLSA-N
XLogP1.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide with MolForge

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Related Compounds

N-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 102358584
2-N-(4-aminocyclohexyl)thiophene-2,4-dicarboxamide
CID 119477780
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497
2-N-piperidin-3-ylthiophene-2,4-dicarboxamide;hydrochloride
CID 119427834
2-N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]thiophene-2,4-dicarboxamide
CID 95775212
N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,5-dimethyl-1H-imidazole-4-carboxamide
CID 138024753
4-acetyl-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 75431685
2-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)thiophene-2,4-dicarboxamide
CID 139009293
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 95621563
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
CID 114312765
2-N-(2-amino-1-cyclopropylethyl)thiophene-2,4-dicarboxamide
CID 119616396

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide (CID 136587051) is 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)N[C@H]2c3ccccc3CC[C@H]2O)c1.
What is the InChIKey of 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide?
The InChIKey is NFCKNNGACCWMPM-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H16N2O3S/c17-15(20)10-7-13(22-8-10)16(21)18-14-11-4-2-1-3-9(11)5-6-12(14)19/h1-4,7-8,12,14,19H,5-6H2,(H2,17,20)(H,18,21)/t12-,14+/m1/s1.
What are the key properties of 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide?
2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 136587051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).