N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C18H22N2O3S2 — CID 6502748

IUPACN-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-12-6-7-15(13(2)10-12)19-18(21)16-11-17(14(3)24-16)25(22,23)20-8-4-5-9-20/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyLRDQBUODHFVGBO-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.71
Rot. Bonds4

About N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6502748) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6502748
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)c(C)c1
InChIInChI=1S/C18H22N2O3S2/c1-12-6-7-15(13(2)10-12)19-18(21)16-11-17(14(3)24-16)25(22,23)20-8-4-5-9-20/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyLRDQBUODHFVGBO-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502749
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6502778
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-butan-2-yl-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6502783
N-(2,4-dimethylphenyl)-2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43853676
N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
5-methyl-4-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 6502784
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
(3R)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075371
(3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075643
N-(2,4-dimethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4801885

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 6502748) is N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)s2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is LRDQBUODHFVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-12-6-7-15(13(2)10-12)19-18(21)16-11-17(14(3)24-16)25(22,23)20-8-4-5-9-20/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6502748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).