4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide

C20H24N2O4S — CID 9227291

IUPAC4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4S/c1-16-10-11-18(20(23)21-26-15-17-8-4-2-5-9-17)14-19(16)27(24,25)22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,21,23)
InChIKeyHKJFUJFNCRCNBB-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.03
Rot. Bonds6

About 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 9227291) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
PubChem CID9227291
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4S/c1-16-10-11-18(20(23)21-26-15-17-8-4-2-5-9-17)14-19(16)27(24,25)22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,21,23)
InChIKeyHKJFUJFNCRCNBB-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-(2-benzylsulfanylethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18271711
2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696
N-[3-(methoxymethyl)phenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 32638426
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
N-(2-carbamoylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 50946665
phenyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2668435
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43875754

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide (CID 9227291) is 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NOCc2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HKJFUJFNCRCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-16-10-11-18(20(23)21-26-15-17-8-4-2-5-9-17)14-19(16)27(24,25)22-12-6-3-7-13-22/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,21,23).
What are the key properties of 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9227291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).