N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide

C18H19N3O4S2 — CID 9190784

IUPACN-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cccs1)c1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C18H19N3O4S2/c1-12(2)15(19-16(22)14-9-6-10-26-14)17-20-21-18(25-17)27(23,24)11-13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyDVSNCZXXHMZSEC-HNNXBMFYSA-N
MW405.50 g/mol
LogP3.23
Rot. Bonds7

About N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide

N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide (PubChem CID 9190784) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide
PubChem CID9190784
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC NameN-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cccs1)c1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C18H19N3O4S2/c1-12(2)15(19-16(22)14-9-6-10-26-14)17-20-21-18(25-17)27(23,24)11-13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyDVSNCZXXHMZSEC-HNNXBMFYSA-N
XLogP3.23
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2R)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butyl]thiophene-2-carboxamide
CID 9187666
2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole
CID 167434648
2-fluoro-N-[(1S)-2-methyl-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]benzamide
CID 9186882
N-[(1S)-1-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]pentanamide
CID 9190828
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
2-chloro-N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 9185725
N-[1-[(2-amino-2-oxoethyl)-propan-2-ylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112794243
tert-butyl N-[(1S,2S)-2-methyl-1-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]butyl]carbamate
CID 51436273
(2-phenyl-1,3-thiazol-4-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 46818773
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide (CID 9190784) is N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide is CC(C)[C@H](NC(=O)c1cccs1)c1nnc(S(=O)(=O)Cc2ccccc2)o1.
What is the InChIKey of N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide?
The InChIKey is DVSNCZXXHMZSEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-12(2)15(19-16(22)14-9-6-10-26-14)17-20-21-18(25-17)27(23,24)11-13-7-4-3-5-8-13/h3-10,12,15H,11H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide?
N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]thiophene-2-carboxamide is sourced from PubChem (CID 9190784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).