5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide

C15H24ClN3O3S2 — CID 11990478

IUPAC5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide
SMILESCC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20)
InChIKeyXIOBNAKYNXSFFO-UHFFFAOYSA-N
MW393.96 g/mol
LogP1.92
Rot. Bonds7

About 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide (PubChem CID 11990478) has the molecular formula C15H24ClN3O3S2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide
PubChem CID11990478
Molecular FormulaC15H24ClN3O3S2
Molecular Weight393.96 g/mol
Exact Mass393.09
IUPAC Name5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide
SMILESCC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20)
InChIKeyXIOBNAKYNXSFFO-UHFFFAOYSA-N
XLogP1.92
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
4-Diethylsulfamoyl-thiophene-2-carboxylic acid cyclohexylamide
CID 655038
(5-Chlorothiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1246200
5-chloro-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 1246546
5-chloro-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2712625
5-chloro-N-[2-[(1-propan-2-ylpiperidin-1-ium-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide
CID 72200777
5-methyl-N-(1-propylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 40162777
5-chloro-N-(1-propylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 40162786
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
5-chloro-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)thiophene-2-carboxamide
CID 72136040
4-[1-(5-Chlorothiophene-2-carbonyl)pyrrolidin-3-YL]-1-methanesulfonylpiperidine
CID 91910299
3-Chloro-N-isopropyl-2-thiophenecarboxamide
CID 24212757

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide (CID 11990478) is 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide is CC(C)N1CCC(NS(=O)(=O)CCNC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide?
The InChIKey is XIOBNAKYNXSFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20).
What are the key properties of 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide has a molecular weight of 393.96 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(1-propan-2-ylpiperidin-4-yl)sulfamoyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 11990478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).