5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide

C17H19NO3S2 — CID 167594824

IUPAC5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide
SMILESCc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C17H19NO3S2/c1-11-6-7-13-12(10-11)4-3-5-14(13)18-17(19)15-8-9-16(22-15)23(2,20)21/h6-10,14H,3-5H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyLQYIJYZZRMSLOW-CQSZACIVSA-N
MW349.48 g/mol
LogP3.27
Rot. Bonds3

About 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide

5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide (PubChem CID 167594824) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide
PubChem CID167594824
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC Name5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide
SMILESCc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C17H19NO3S2/c1-11-6-7-13-12(10-11)4-3-5-14(13)18-17(19)15-8-9-16(22-15)23(2,20)21/h6-10,14H,3-5H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyLQYIJYZZRMSLOW-CQSZACIVSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(acetamidomethyl)-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]thiophene-2-carboxamide
CID 167619937
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 167682226
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 116649864
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
4-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole-5-carboxamide
CID 71145729
3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 94012657
2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903990

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide (CID 167594824) is 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide is Cc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccc(S(C)(=O)=O)s1.
What is the InChIKey of 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide?
The InChIKey is LQYIJYZZRMSLOW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-11-6-7-13-12(10-11)4-3-5-14(13)18-17(19)15-8-9-16(22-15)23(2,20)21/h6-10,14H,3-5H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide?
5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 167594824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).