1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

C22H23N3O3S2 — CID 43043803

IUPAC1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)C1
InChIInChI=1S/C22H23N3O3S2/c1-30(27,28)25-13-5-8-19(14-25)21(26)24-22-23-20(15-29-22)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,23,24,26)
InChIKeyMTIDLEALZAJMFP-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.09
Rot. Bonds5

About 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide

1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 43043803) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID43043803
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)C1
InChIInChI=1S/C22H23N3O3S2/c1-30(27,28)25-13-5-8-19(14-25)21(26)24-22-23-20(15-29-22)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,23,24,26)
InChIKeyMTIDLEALZAJMFP-UHFFFAOYSA-N
XLogP4.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16829147
1-(benzenesulfonyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861540
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556991
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109
(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 124505189
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862805
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
1-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16828919
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 43043803) is 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)C1.
What is the InChIKey of 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is MTIDLEALZAJMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-30(27,28)25-13-5-8-19(14-25)21(26)24-22-23-20(15-29-22)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,23,24,26).
What are the key properties of 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide?
1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 43043803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).