N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide

C23H27N3O3S2 — CID 19854940

IUPACN-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1
InChIInChI=1S/C23H27N3O3S2/c1-31(27,28)25-23-24-20(17-30-23)16-26-14-12-21(13-15-26)29-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,21-22H,12-16H2,1H3,(H,24,25)
InChIKeyRJPPKYUVEHUJPC-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.29
Rot. Bonds8

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

N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 19854940) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID19854940
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC NameN-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1
InChIInChI=1S/C23H27N3O3S2/c1-31(27,28)25-23-24-20(17-30-23)16-26-14-12-21(13-15-26)29-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,21-22H,12-16H2,1H3,(H,24,25)
InChIKeyRJPPKYUVEHUJPC-UHFFFAOYSA-N
XLogP4.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 14500898
6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
CID 89474416
6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474378
N-[2-[3-[4-[phenyl(pyridin-4-yl)methoxy]piperidin-1-yl]propoxy]phenyl]methanesulfonamide
CID 19776705
6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474891
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
propyl 6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 89474376
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
2-(furan-2-yl)-4-[(4-methoxypiperidin-1-yl)methyl]-1,3-thiazole
CID 134033891
3-(methanesulfonamido)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30184646

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 19854940) is N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide is CS(=O)(=O)Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1.
What is the InChIKey of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is RJPPKYUVEHUJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-31(27,28)25-23-24-20(17-30-23)16-26-14-12-21(13-15-26)29-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,21-22H,12-16H2,1H3,(H,24,25).
What are the key properties of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide?
N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 457.62 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 19854940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).