N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide

C22H25N3O4S3 — CID 20933897

IUPACN-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(N(Cc3csc(-c4cccs4)n3)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C22H25N3O4S3/c1-29-19-7-5-16(6-8-19)22(26)24-11-9-18(10-12-24)25(32(2,27)28)14-17-15-31-21(23-17)20-4-3-13-30-20/h3-8,13,15,18H,9-12,14H2,1-2H3
InChIKeyUXXJELKGUYSSCZ-UHFFFAOYSA-N
MW491.66 g/mol
LogP3.95
Rot. Bonds7

About N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 20933897) has the molecular formula C22H25N3O4S3 and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID20933897
Molecular FormulaC22H25N3O4S3
Molecular Weight491.66 g/mol
Exact Mass491.10
IUPAC NameN-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCOc1ccc(C(=O)N2CCC(N(Cc3csc(-c4cccs4)n3)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C22H25N3O4S3/c1-29-19-7-5-16(6-8-19)22(26)24-11-9-18(10-12-24)25(32(2,27)28)14-17-15-31-21(23-17)20-4-3-13-30-20/h3-8,13,15,18H,9-12,14H2,1-2H3
InChIKeyUXXJELKGUYSSCZ-UHFFFAOYSA-N
XLogP3.95
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 20933897) is N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide is COc1ccc(C(=O)N2CCC(N(Cc3csc(-c4cccs4)n3)S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is UXXJELKGUYSSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S3/c1-29-19-7-5-16(6-8-19)22(26)24-11-9-18(10-12-24)25(32(2,27)28)14-17-15-31-21(23-17)20-4-3-13-30-20/h3-8,13,15,18H,9-12,14H2,1-2H3.
What are the key properties of N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 491.66 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)piperidin-4-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 20933897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).