N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H19NO3S3 — CID 121131811

IUPACN-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1cccs1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C20H19NO3S3/c22-20(18-6-3-11-25-18)19-10-8-16(26-19)13-21-27(23,24)17-9-7-14-4-1-2-5-15(14)12-17/h3,6-12,21H,1-2,4-5,13H2
InChIKeyUWFNAPQMVHDLRT-UHFFFAOYSA-N
MW417.58 g/mol
LogP4.40
Rot. Bonds6

About N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 121131811) has the molecular formula C20H19NO3S3 and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID121131811
Molecular FormulaC20H19NO3S3
Molecular Weight417.58 g/mol
Exact Mass417.05
IUPAC NameN-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1cccs1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C20H19NO3S3/c22-20(18-6-3-11-25-18)19-10-8-16(26-19)13-21-27(23,24)17-9-7-14-4-1-2-5-15(14)12-17/h3,6-12,21H,1-2,4-5,13H2
InChIKeyUWFNAPQMVHDLRT-UHFFFAOYSA-N
XLogP4.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.58
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90612695
2,3,5,6-tetramethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 121131813
5-ethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121131782
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-thiophen-2-ylethanone
CID 64642953
1-(3-fluorophenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 71803384
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110663311
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 27555251
N-[(2S)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 41193831

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 121131811) is N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C(c1cccs1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)s1.
What is the InChIKey of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is UWFNAPQMVHDLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S3/c22-20(18-6-3-11-25-18)19-10-8-16(26-19)13-21-27(23,24)17-9-7-14-4-1-2-5-15(14)12-17/h3,6-12,21H,1-2,4-5,13H2.
What are the key properties of N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 417.58 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 121131811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).