N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide

C13H15NO3S3 — CID 90612640

IUPACN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C13H15NO3S3/c1-2-7-20(16,17)14-8-11-3-4-12(19-11)13(15)10-5-6-18-9-10/h3-6,9,14H,2,7-8H2,1H3
InChIKeyUNVQLTMKNWIUEP-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.87
Rot. Bonds7

About N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide

N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide (PubChem CID 90612640) has the molecular formula C13H15NO3S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
PubChem CID90612640
Molecular FormulaC13H15NO3S3
Molecular Weight329.47 g/mol
Exact Mass329.02
IUPAC NameN-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C13H15NO3S3/c1-2-7-20(16,17)14-8-11-3-4-12(19-11)13(15)10-5-6-18-9-10/h3-6,9,14H,2,7-8H2,1H3
InChIKeyUNVQLTMKNWIUEP-UHFFFAOYSA-N
XLogP2.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]methanesulfonamide
CID 90612662
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
CID 13356126
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
ethyl 2-oxo-2-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylamino]acetate
CID 90612492
N-[3-methyl-4-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methylsulfamoyl]phenyl]propanamide
CID 90612721
4-methoxy-2-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612682
4-methyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612500
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90612695
4-methoxy-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzamide
CID 90612517
4,4,4-trifluoro-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]butanamide
CID 90613215
4-bromo-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 72717695

Frequently Asked Questions

What is the IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide (CID 90612640) is N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc(C(=O)c2ccsc2)s1.
What is the InChIKey of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is UNVQLTMKNWIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S3/c1-2-7-20(16,17)14-8-11-3-4-12(19-11)13(15)10-5-6-18-9-10/h3-6,9,14H,2,7-8H2,1H3.
What are the key properties of N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide?
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 2.87, 7 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]propane-1-sulfonamide is sourced from PubChem (CID 90612640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).