N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide

C13H17N3O4S2 — CID 9187666

IUPACN-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)c1cccs1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H17N3O4S2/c1-4-8(2)10(14-11(17)9-6-5-7-21-9)12-15-16-13(20-12)22(3,18)19/h5-8,10H,4H2,1-3H3,(H,14,17)/t8-,10+/m1/s1
InChIKeyVRAZGZHXWGBMEG-SCZZXKLOSA-N
MW343.43 g/mol
LogP2.05
Rot. Bonds6

About N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide

N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide (PubChem CID 9187666) has the molecular formula C13H17N3O4S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide
PubChem CID9187666
Molecular FormulaC13H17N3O4S2
Molecular Weight343.43 g/mol
Exact Mass343.07
IUPAC NameN-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide
SMILESCC[C@@H](C)[C@H](NC(=O)c1cccs1)c1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C13H17N3O4S2/c1-4-8(2)10(14-11(17)9-6-5-7-21-9)12-15-16-13(20-12)22(3,18)19/h5-8,10H,4H2,1-3H3,(H,14,17)/t8-,10+/m1/s1
InChIKeyVRAZGZHXWGBMEG-SCZZXKLOSA-N
XLogP2.05
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide
CID 9190784
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110368421
N-(1-aminooxypropan-2-yl)thiophene-2-carboxamide
CID 82040114
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
CID 119727138
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-[(2R)-2-methylbutyl]sulfonylthiophene-2-carboxamide
CID 96531023
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
tert-butyl N-[(1R,2R)-1-[5-[(2-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylbutyl]carbamate
CID 51554579
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide (CID 9187666) is N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide is CC[C@@H](C)[C@H](NC(=O)c1cccs1)c1nnc(S(C)(=O)=O)o1.
What is the InChIKey of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide?
The InChIKey is VRAZGZHXWGBMEG-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H17N3O4S2/c1-4-8(2)10(14-11(17)9-6-5-7-21-9)12-15-16-13(20-12)22(3,18)19/h5-8,10H,4H2,1-3H3,(H,14,17)/t8-,10+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide?
N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide is sourced from PubChem (CID 9187666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).