N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide

C16H22N4O4S2 — CID 95092174

IUPACN-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1
InChIInChI=1S/C16H22N4O4S2/c1-3-11(2)19-26(22,23)13-9-12(10-25-13)14-17-18-15(24-14)16(21)20-7-5-4-6-8-20/h9-11,19H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyOBVPMMCCLKBQKO-NSHDSACASA-N
MW398.51 g/mol
LogP2.50
Rot. Bonds6

About N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide

N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 95092174) has the molecular formula C16H22N4O4S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
PubChem CID95092174
Molecular FormulaC16H22N4O4S2
Molecular Weight398.51 g/mol
Exact Mass398.11
IUPAC NameN-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
SMILESCC[C@H](C)NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1
InChIInChI=1S/C16H22N4O4S2/c1-3-11(2)19-26(22,23)13-9-12(10-25-13)14-17-18-15(24-14)16(21)20-7-5-4-6-8-20/h9-11,19H,3-8H2,1-2H3/t11-/m0/s1
InChIKeyOBVPMMCCLKBQKO-NSHDSACASA-N
XLogP2.50
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Cyclopentyl-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-YL]thiophene-2-sulfonamide
CID 53127502
1-{5-[5-(Pyrrolidine-1-sulfonyl)thiophen-3-YL]-1,3,4-oxadiazole-2-carbonyl}piperidine
CID 53127522
N,N-Diethyl-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-YL]thiophene-2-sulfonamide
CID 53127579
1-Methyl-4-{[4-(5-methyl-1,3,4-oxadiazol-2-YL)thiophen-2-YL]sulfonyl}piperazine
CID 53011786
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-YL]thiophene-2-sulfonamide
CID 53011793
2-(Pyrrolidine-1-carbonyl)-5-[5-(pyrrolidine-1-sulfonyl)thiophen-3-YL]-1,3,4-oxadiazole
CID 53011795
N-(Propan-2-YL)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-YL]thiophene-2-sulfonamide
CID 53011796
N-Cyclopropyl-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-YL]thiophene-2-sulfonamide
CID 53011797
1-({4-[5-(Pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-YL]thiophen-2-YL}sulfonyl)piperidine
CID 53011798
[5-(5-Morpholin-4-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 53011799
N-Cyclopropyl-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-YL]thiophene-2-sulfonamide
CID 53011800
N-[1-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 25475325

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (CID 95092174) is N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is CC[C@H](C)NS(=O)(=O)c1cc(-c2nnc(C(=O)N3CCCCC3)o2)cs1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is OBVPMMCCLKBQKO-NSHDSACASA-N. The full InChI is InChI=1S/C16H22N4O4S2/c1-3-11(2)19-26(22,23)13-9-12(10-25-13)14-17-18-15(24-14)16(21)20-7-5-4-6-8-20/h9-11,19H,3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 398.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 95092174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).