N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C18H22N2O3S2 — CID 53066371

IUPACN-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C18H22N2O3S2/c1-3-14-8-6-7-13(2)17(14)19-18(21)15-9-10-16(24-15)25(22,23)20-11-4-5-12-20/h6-10H,3-5,11-12H2,1-2H3,(H,19,21)
InChIKeyQCJMNGJWDDKHRH-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.66
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 53066371) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID53066371
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1
InChIInChI=1S/C18H22N2O3S2/c1-3-14-8-6-7-13(2)17(14)19-18(21)15-9-10-16(24-15)25(22,23)20-11-4-5-12-20/h6-10H,3-5,11-12H2,1-2H3,(H,19,21)
InChIKeyQCJMNGJWDDKHRH-UHFFFAOYSA-N
XLogP3.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066353
N-(4-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066354
N-(3,4-dimethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066366
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 28590817
N-(2-ethyl-6-methylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900185
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-ethyl-N-(2-ethyl-6-methylphenyl)-4-methylthiophene-2-carboxamide
CID 4820644
4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 9414960
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
(E)-3-(2-methylphenyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)prop-2-enoic acid
CID 8862304
(3R)-1-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 94011647
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 53066371) is N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)s1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is QCJMNGJWDDKHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-14-8-6-7-13(2)17(14)19-18(21)15-9-10-16(24-15)25(22,23)20-11-4-5-12-20/h6-10H,3-5,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 53066371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).