2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

C20H27N3O3S2 — CID 56558214

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C20H27N3O3S2/c1-14(2)20-22-16(13-27-20)12-21-19(24)18-11-17(8-7-15(18)3)28(25,26)23-9-5-4-6-10-23/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyQSIIRSHMGKSUGD-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.68
Rot. Bonds6

About 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide

2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 56558214) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID56558214
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1csc(C(C)C)n1
InChIInChI=1S/C20H27N3O3S2/c1-14(2)20-22-16(13-27-20)12-21-19(24)18-11-17(8-7-15(18)3)28(25,26)23-9-5-4-6-10-23/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,21,24)
InChIKeyQSIIRSHMGKSUGD-UHFFFAOYSA-N
XLogP3.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-ylsulfonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558410
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
2-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 24525157
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 55389787
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282284
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 35859072

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide (CID 56558214) is 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1csc(C(C)C)n1.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is QSIIRSHMGKSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-14(2)20-22-16(13-27-20)12-21-19(24)18-11-17(8-7-15(18)3)28(25,26)23-9-5-4-6-10-23/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 56558214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).