2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide

C23H32N4O3S2 — CID 46680066

IUPAC2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc(CN2CCCC(C)C2)cs1
InChIInChI=1S/C23H32N4O3S2/c1-17-7-6-10-26(14-17)15-19-16-31-23(24-19)25-22(28)21-13-20(9-8-18(21)2)32(29,30)27-11-4-3-5-12-27/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H,24,25,28)
InChIKeyVZJGGYUVMNNJJR-UHFFFAOYSA-N
MW476.67 g/mol
LogP4.11
Rot. Bonds6

About 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 46680066) has the molecular formula C23H32N4O3S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID46680066
Molecular FormulaC23H32N4O3S2
Molecular Weight476.67 g/mol
Exact Mass476.19
IUPAC Name2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc(CN2CCCC(C)C2)cs1
InChIInChI=1S/C23H32N4O3S2/c1-17-7-6-10-26(14-17)15-19-16-31-23(24-19)25-22(28)21-13-20(9-8-18(21)2)32(29,30)27-11-4-3-5-12-27/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H,24,25,28)
InChIKeyVZJGGYUVMNNJJR-UHFFFAOYSA-N
XLogP4.11
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 46680057
2-methyl-5-methylsulfonyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182384
4-(azepan-1-ylsulfonyl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24611202
5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 74646134
(2S)-1-(4-methylphenyl)sulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 46680103
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46680161
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 25489845
2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 35844295

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide (CID 46680066) is 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc(CN2CCCC(C)C2)cs1.
What is the InChIKey of 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VZJGGYUVMNNJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S2/c1-17-7-6-10-26(14-17)15-19-16-31-23(24-19)25-22(28)21-13-20(9-8-18(21)2)32(29,30)27-11-4-3-5-12-27/h8-9,13,16-17H,3-7,10-12,14-15H2,1-2H3,(H,24,25,28).
What are the key properties of 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 476.67 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46680066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).