N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C15H18N4O4S2 — CID 55890848

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H18N4O4S2/c20-15(16-9-12-17-14(18-23-12)10-3-4-10)13-11(5-8-24-13)25(21,22)19-6-1-2-7-19/h5,8,10H,1-4,6-7,9H2,(H,16,20)
InChIKeyZVECTSRWSWPPMT-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.72
Rot. Bonds6

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 55890848) has the molecular formula C15H18N4O4S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID55890848
Molecular FormulaC15H18N4O4S2
Molecular Weight382.47 g/mol
Exact Mass382.08
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1nc(C2CC2)no1)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H18N4O4S2/c20-15(16-9-12-17-14(18-23-12)10-3-4-10)13-11(5-8-24-13)25(21,22)19-6-1-2-7-19/h5,8,10H,1-4,6-7,9H2,(H,16,20)
InChIKeyZVECTSRWSWPPMT-UHFFFAOYSA-N
XLogP1.72
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide with MolForge

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60535047
5-[[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246200
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 77092585
N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 38028874
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55897304
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55465334
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 55890848) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is O=C(NCc1nc(C2CC2)no1)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is ZVECTSRWSWPPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2/c20-15(16-9-12-17-14(18-23-12)10-3-4-10)13-11(5-8-24-13)25(21,22)19-6-1-2-7-19/h5,8,10H,1-4,6-7,9H2,(H,16,20).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 55890848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).