N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H19NO3S3 — CID 90612695

IUPACN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1ccsc1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C20H19NO3S3/c22-20(16-9-10-25-13-16)19-8-6-17(26-19)12-21-27(23,24)18-7-5-14-3-1-2-4-15(14)11-18/h5-11,13,21H,1-4,12H2
InChIKeyXVWWMEAVJYPGBF-UHFFFAOYSA-N
MW417.58 g/mol
LogP4.40
Rot. Bonds6

About N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 90612695) has the molecular formula C20H19NO3S3 and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID90612695
Molecular FormulaC20H19NO3S3
Molecular Weight417.58 g/mol
Exact Mass417.05
IUPAC NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=C(c1ccsc1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C20H19NO3S3/c22-20(16-9-10-25-13-16)19-8-6-17(26-19)12-21-27(23,24)18-7-5-14-3-1-2-4-15(14)11-18/h5-11,13,21H,1-4,12H2
InChIKeyXVWWMEAVJYPGBF-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

Analyze N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121131811
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
CID 90612640
4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
CID 90612721
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103916552
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
N-[(5-benzoylthiophen-2-yl)methyl]-3-chloro-4-fluorobenzenesulfonamide
CID 90613039
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
4-(2,3-dihydro-1H-inden-5-ylmethylsulfamoyl)benzoic acid
CID 110780398
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 90612695) is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=C(c1ccsc1)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)s1.
What is the InChIKey of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is XVWWMEAVJYPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S3/c22-20(16-9-10-25-13-16)19-8-6-17(26-19)12-21-27(23,24)18-7-5-14-3-1-2-4-15(14)11-18/h5-11,13,21H,1-4,12H2.
What are the key properties of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[5-(thiophene-3-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-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 90612695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).