N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

C17H20N2O3S2 — CID 50806843

IUPACN-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-12-5-6-15(9-13(12)2)18-24(21,22)16-10-14(11-23-16)17(20)19-7-3-4-8-19/h5-6,9-11,18H,3-4,7-8H2,1-2H3
InChIKeyPGNRMIZGWFEZSM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.40
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 50806843) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID50806843
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)cc1C
InChIInChI=1S/C17H20N2O3S2/c1-12-5-6-15(9-13(12)2)18-24(21,22)16-10-14(11-23-16)17(20)19-7-3-4-8-19/h5-6,9-11,18H,3-4,7-8H2,1-2H3
InChIKeyPGNRMIZGWFEZSM-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
4-(pyrrolidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 50777672
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067981
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 50777609
N-(4-bromo-3-methylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126387
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777538
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (CID 50806843) is N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is PGNRMIZGWFEZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12-5-6-15(9-13(12)2)18-24(21,22)16-10-14(11-23-16)17(20)19-7-3-4-8-19/h5-6,9-11,18H,3-4,7-8H2,1-2H3.
What are the key properties of N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50806843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).