N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide

C17H26N4O3S2 — CID 120865234

IUPACN-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
SMILESCNC(C)Cc1noc(-c2sccc2S(=O)(=O)NC2CCCCCC2)n1
InChIInChI=1S/C17H26N4O3S2/c1-12(18-2)11-15-19-17(24-20-15)16-14(9-10-25-16)26(22,23)21-13-7-5-3-4-6-8-13/h9-10,12-13,18,21H,3-8,11H2,1-2H3
InChIKeyCWJZRPTYCBGALO-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.95
Rot. Bonds7

About N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide

N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide (PubChem CID 120865234) has the molecular formula C17H26N4O3S2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
PubChem CID120865234
Molecular FormulaC17H26N4O3S2
Molecular Weight398.55 g/mol
Exact Mass398.14
IUPAC NameN-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
SMILESCNC(C)Cc1noc(-c2sccc2S(=O)(=O)NC2CCCCCC2)n1
InChIInChI=1S/C17H26N4O3S2/c1-12(18-2)11-15-19-17(24-20-15)16-14(9-10-25-16)26(22,23)21-13-7-5-3-4-6-8-13/h9-10,12-13,18,21H,3-8,11H2,1-2H3
InChIKeyCWJZRPTYCBGALO-UHFFFAOYSA-N
XLogP2.95
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[5-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120865580
N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120866549
N-cyclopentyl-2-methoxy-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120869072
N-methyl-1-[5-(3-propan-2-ylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120868338
N-methyl-1-[5-[3-(tetrazol-1-yl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865132
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866510
N-methyl-1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866066
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzenesulfonamide
CID 90608190
N-tert-butyl-4-chloro-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867178
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287
N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865715
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 137096135

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
The IUPAC name of N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide (CID 120865234) is N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
The canonical SMILES for N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide is CNC(C)Cc1noc(-c2sccc2S(=O)(=O)NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
The InChIKey is CWJZRPTYCBGALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S2/c1-12(18-2)11-15-19-17(24-20-15)16-14(9-10-25-16)26(22,23)21-13-7-5-3-4-6-8-13/h9-10,12-13,18,21H,3-8,11H2,1-2H3.
What are the key properties of N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide?
N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide has a molecular weight of 398.55 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 120865234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).