N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C21H26N2O4S — CID 32638426

IUPACN-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOCc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-9-10-18(14-20(16)28(25,26)23-11-4-3-5-12-23)21(24)22-19-8-6-7-17(13-19)15-27-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,24)
InChIKeyFECLGOOXCVAPNO-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.57
Rot. Bonds6

About N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 32638426) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID32638426
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOCc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H26N2O4S/c1-16-9-10-18(14-20(16)28(25,26)23-11-4-3-5-12-23)21(24)22-19-8-6-7-17(13-19)15-27-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,24)
InChIKeyFECLGOOXCVAPNO-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 33181811
N-[3-(methoxymethyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 32638427
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38009333
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4798285
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 32638426) is N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is COCc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FECLGOOXCVAPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-9-10-18(14-20(16)28(25,26)23-11-4-3-5-12-23)21(24)22-19-8-6-7-17(13-19)15-27-2/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 32638426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).