N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide

C18H22N2O3S2 — CID 50777620

IUPACN-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(C(=O)N2CCCC2)cs1)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c1-14(15-7-3-2-4-8-15)12-19-25(22,23)17-11-16(13-24-17)18(21)20-9-5-6-10-20/h2-4,7-8,11,13-14,19H,5-6,9-10,12H2,1H3
InChIKeyYLXCVFJEIUIVBQ-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.07
Rot. Bonds6

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

N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 50777620) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID50777620
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCC(CNS(=O)(=O)c1cc(C(=O)N2CCCC2)cs1)c1ccccc1
InChIInChI=1S/C18H22N2O3S2/c1-14(15-7-3-2-4-8-15)12-19-25(22,23)17-11-16(13-24-17)18(21)20-9-5-6-10-20/h2-4,7-8,11,13-14,19H,5-6,9-10,12H2,1H3
InChIKeyYLXCVFJEIUIVBQ-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843
N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 93056586
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
N-benzyl-N-methyl-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777828
1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2S)-2-phenylpropyl]pyrrole-3-sulfonamide
CID 95094197
1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]pyrrole-3-sulfonamide
CID 95094206
4-(azepane-1-carbonyl)-N-benzyl-N-methylthiophene-2-sulfonamide
CID 50777606
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide (CID 50777620) is N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is CC(CNS(=O)(=O)c1cc(C(=O)N2CCCC2)cs1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is YLXCVFJEIUIVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14(15-7-3-2-4-8-15)12-19-25(22,23)17-11-16(13-24-17)18(21)20-9-5-6-10-20/h2-4,7-8,11,13-14,19H,5-6,9-10,12H2,1H3.
What are the key properties of N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide?
N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50777620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).