N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

C23H23N3O3S2 — CID 162493645

IUPACN-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc2c(c1)-c1nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc1C2
InChIInChI=1S/C23H23N3O3S2/c1-15-5-6-17-14-20-21(19(17)13-15)24-23(30-20)25-22(27)16-7-9-18(10-8-16)31(28,29)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,25,27)
InChIKeyYZJUBJIXJZVZDW-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.45
Rot. Bonds4

About N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 162493645) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID162493645
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC NameN-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc2c(c1)-c1nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc1C2
InChIInChI=1S/C23H23N3O3S2/c1-15-5-6-17-14-20-21(19(17)13-15)24-23(30-20)25-22(27)16-7-9-18(10-8-16)31(28,29)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,25,27)
InChIKeyYZJUBJIXJZVZDW-UHFFFAOYSA-N
XLogP4.45
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4145482
4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3602415
4-(azepan-1-ylsulfonyl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4073267
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)benzamide
CID 5222678
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 3540280
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
3-methyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 3671432
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 5159977
4-(azepan-1-ylsulfonyl)-N-[4-[2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3536744

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 162493645) is N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is Cc1ccc2c(c1)-c1nc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc1C2.
What is the InChIKey of N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is YZJUBJIXJZVZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-15-5-6-17-14-20-21(19(17)13-15)24-23(30-20)25-22(27)16-7-9-18(10-8-16)31(28,29)26-11-3-2-4-12-26/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,25,27).
What are the key properties of N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 453.59 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 162493645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).