3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

C14H20N4O4S2 — CID 55678586

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NCc2ccc(S(N)(=O)=O)s2)n1
InChIInChI=1S/C14H20N4O4S2/c1-14(2,3)13-17-11(22-18-13)6-5-10(19)16-8-9-4-7-12(23-9)24(15,20)21/h4,7H,5-6,8H2,1-3H3,(H,16,19)(H2,15,20,21)
InChIKeyKFSCZJWLUDJJOZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.33
Rot. Bonds6

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (PubChem CID 55678586) has the molecular formula C14H20N4O4S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
PubChem CID55678586
Molecular FormulaC14H20N4O4S2
Molecular Weight372.47 g/mol
Exact Mass372.09
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NCc2ccc(S(N)(=O)=O)s2)n1
InChIInChI=1S/C14H20N4O4S2/c1-14(2,3)13-17-11(22-18-13)6-5-10(19)16-8-9-4-7-12(23-9)24(15,20)21/h4,7H,5-6,8H2,1-3H3,(H,16,19)(H2,15,20,21)
InChIKeyKFSCZJWLUDJJOZ-UHFFFAOYSA-N
XLogP1.33
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
CID 55650045
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
2-tert-butyl-4,5-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18286297
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-phenothiazin-10-ylpropyl)propanamide
CID 55679474
2-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 47445414
N-[3-(4-bromoanilino)-3-oxopropyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55952741
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55683955
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[[3-(2-methylpropoxy)phenyl]methyl]propanamide
CID 86836663
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55669759
N-[2-(benzenesulfonamido)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide
CID 78869966
3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55339921

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (CID 55678586) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is CC(C)(C)c1noc(CCC(=O)NCc2ccc(S(N)(=O)=O)s2)n1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The InChIKey is KFSCZJWLUDJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S2/c1-14(2,3)13-17-11(22-18-13)6-5-10(19)16-8-9-4-7-12(23-9)24(15,20)21/h4,7H,5-6,8H2,1-3H3,(H,16,19)(H2,15,20,21).
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 55678586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).