N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide

C24H26N2O3S — CID 26904308

IUPACN,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O3S/c1-18-10-11-21(17-23(18)30(28,29)26-14-6-3-7-15-26)24(27)25(2)22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3
InChIKeyFRRRJLJDOIGFRV-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.60
Rot. Bonds4

About N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide

N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26904308) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26904308
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C24H26N2O3S/c1-18-10-11-21(17-23(18)30(28,29)26-14-6-3-7-15-26)24(27)25(2)22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3
InChIKeyFRRRJLJDOIGFRV-UHFFFAOYSA-N
XLogP4.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 26904305
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267
2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55332785
phenyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2668435
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 46591480
4-(dimethylamino)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 25443715
N-methyl-N-naphthalen-2-yl-4-(2-oxopiperidin-1-yl)benzamide
CID 55429642
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55918493
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide (CID 26904308) is N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)N(C)c2ccc3ccccc3c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FRRRJLJDOIGFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-18-10-11-21(17-23(18)30(28,29)26-14-6-3-7-15-26)24(27)25(2)22-13-12-19-8-4-5-9-20(19)16-22/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3.
What are the key properties of N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide?
N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26904308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).