4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide

C20H24N2O3S2 — CID 93056592

IUPAC4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
SMILESO=C(c1csc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1)N1CCCCC1
InChIInChI=1S/C20H24N2O3S2/c23-20(22-11-4-1-5-12-22)16-13-19(26-14-16)27(24,25)21-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,7,9,13-14,18,21H,1,4-6,8,10-12H2/t18-/m1/s1
InChIKeyWRNJDWZROXJMDL-GOSISDBHSA-N
MW404.56 g/mol
LogP3.73
Rot. Bonds4

About 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide

4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide (PubChem CID 93056592) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
PubChem CID93056592
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
SMILESO=C(c1csc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1)N1CCCCC1
InChIInChI=1S/C20H24N2O3S2/c23-20(22-11-4-1-5-12-22)16-13-19(26-14-16)27(24,25)21-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,7,9,13-14,18,21H,1,4-6,8,10-12H2/t18-/m1/s1
InChIKeyWRNJDWZROXJMDL-GOSISDBHSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-sulfonamide
CID 53042777
2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 95116339
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
CID 133235599
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
1-methyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-6-sulfonamide
CID 20974117
2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 50777147
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491

Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide (CID 93056592) is 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide is O=C(c1csc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1)N1CCCCC1.
What is the InChIKey of 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide?
The InChIKey is WRNJDWZROXJMDL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c23-20(22-11-4-1-5-12-22)16-13-19(26-14-16)27(24,25)21-18-10-6-8-15-7-2-3-9-17(15)18/h2-3,7,9,13-14,18,21H,1,4-6,8,10-12H2/t18-/m1/s1.
What are the key properties of 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide?
4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide has a molecular weight of 404.56 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 93056592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).