N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

C19H25N3O3S2 — CID 4050918

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C19H25N3O3S2/c1-19(2,3)16-13-26-18(20-16)21-17(23)14-7-9-15(10-8-14)27(24,25)22-11-5-4-6-12-22/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,21,23)
InChIKeyYRWUNKAZWZZFKM-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.87
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 4050918) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID4050918
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C19H25N3O3S2/c1-19(2,3)16-13-26-18(20-16)21-17(23)14-7-9-15(10-8-14)27(24,25)22-11-5-4-6-12-22/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,21,23)
InChIKeyYRWUNKAZWZZFKM-UHFFFAOYSA-N
XLogP3.87
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2549893
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}-2-thiophenecarboxamide
CID 1161245
2-methyl-N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
CID 1236908
3-methyl-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}butanamide
CID 1236909
N-{4-[4-(1-azepanylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1323359
N-{4-[4-(morpholin-4-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}pentanamide
CID 1811788
4-(pyrrolidin-1-ylsulfonyl)-N-(4-(thiophen-2-yl)thiazol-2-yl)benzamide
CID 2327228
4-piperidin-1-ylsulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 2660503
calcium channel activator 2E151
CID 150098922
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 881640

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 4050918) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is CC(C)(C)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is YRWUNKAZWZZFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-19(2,3)16-13-26-18(20-16)21-17(23)14-7-9-15(10-8-14)27(24,25)22-11-5-4-6-12-22/h7-10,13H,4-6,11-12H2,1-3H3,(H,20,21,23).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 407.56 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4050918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).