N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C14H18N4O4S2 — CID 119068920

IUPACN-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(CCc1ncon1)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H18N4O4S2/c1-17(8-4-12-15-10-22-16-12)14(19)13-11(5-9-23-13)24(20,21)18-6-2-3-7-18/h5,9-10H,2-4,6-8H2,1H3
InChIKeyORCDRUJKXQWHDY-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.23
Rot. Bonds6

About N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 119068920) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID119068920
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC NameN-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCN(CCc1ncon1)C(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H18N4O4S2/c1-17(8-4-12-15-10-22-16-12)14(19)13-11(5-9-23-13)24(20,21)18-6-2-3-7-18/h5,9-10H,2-4,6-8H2,1H3
InChIKeyORCDRUJKXQWHDY-UHFFFAOYSA-N
XLogP1.23
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-(2-pyridin-2-ylethyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037324
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338589
3-piperidin-1-ylsulfonyl-N,N-dipropylthiophene-2-carboxamide
CID 55524372
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 43051837
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32622153
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 134041709
N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55637487
N-[(2-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 32886702
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-methyl-3-pyrrolidin-1-ylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55549165
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32623057

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 119068920) is N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CN(CCc1ncon1)C(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is ORCDRUJKXQWHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-17(8-4-12-15-10-22-16-12)14(19)13-11(5-9-23-13)24(20,21)18-6-2-3-7-18/h5,9-10H,2-4,6-8H2,1H3.
What are the key properties of N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 119068920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).