N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

C16H18N2O4S2 — CID 20958429

IUPACN-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-22-13-6-4-12(5-7-13)17-24(20,21)15-9-8-14(23-15)16(19)18-10-2-3-11-18/h4-9,17H,2-3,10-11H2,1H3
InChIKeyGKKFSELHDDUFFJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.79
Rot. Bonds5

About N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 20958429) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID20958429
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-22-13-6-4-12(5-7-13)17-24(20,21)15-9-8-14(23-15)16(19)18-10-2-3-11-18/h4-9,17H,2-3,10-11H2,1H3
InChIKeyGKKFSELHDDUFFJ-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 36620781
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114946
N-(4-methoxyphenyl)-2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945163
N-(4-methoxyphenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114725
N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127489
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
N-(4-methoxyphenyl)-2-methyl-5-(thiomorpholine-4-carbonyl)benzenesulfonamide
CID 55869067
N-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 20958443

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (CID 20958429) is N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is GKKFSELHDDUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-22-13-6-4-12(5-7-13)17-24(20,21)15-9-8-14(23-15)16(19)18-10-2-3-11-18/h4-9,17H,2-3,10-11H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 20958429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).