N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

C19H24N4O4S2 — CID 95854293

IUPACN-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1
InChIInChI=1S/C19H24N4O4S2/c1-13(24)21-17(18-20-9-12-28-18)14-7-10-23(11-8-14)19(25)15-5-3-4-6-16(15)22-29(2,26)27/h3-6,9,12,14,17,22H,7-8,10-11H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyWPZJJUOAROXJPX-KRWDZBQOSA-N
MW436.56 g/mol
LogP2.24
Rot. Bonds6

About N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 95854293) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID95854293
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC NameN-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1
InChIInChI=1S/C19H24N4O4S2/c1-13(24)21-17(18-20-9-12-28-18)14-7-10-23(11-8-14)19(25)15-5-3-4-6-16(15)22-29(2,26)27/h3-6,9,12,14,17,22H,7-8,10-11H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyWPZJJUOAROXJPX-KRWDZBQOSA-N
XLogP2.24
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(S)-[1-[1-(2-methoxyethyl)indole-3-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854291
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854289
N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 124989644
N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 51164916
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55636448
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 71992541
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2983757
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 95854293) is N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)c2ccccc2NS(C)(=O)=O)CC1.
What is the InChIKey of N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is WPZJJUOAROXJPX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O4S2/c1-13(24)21-17(18-20-9-12-28-18)14-7-10-23(11-8-14)19(25)15-5-3-4-6-16(15)22-29(2,26)27/h3-6,9,12,14,17,22H,7-8,10-11H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 436.56 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 95854293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).