N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C18H26N2O4S — CID 43050283

IUPACN-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)NCC2CC2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C18H26N2O4S/c1-13-5-3-4-10-20(13)25(22,23)17-11-15(8-9-16(17)24-2)18(21)19-12-14-6-7-14/h8-9,11,13-14H,3-7,10,12H2,1-2H3,(H,19,21)
InChIKeyUBOXZEGWAHIXQX-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.40
Rot. Bonds6

About N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 43050283) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID43050283
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(C(=O)NCC2CC2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C18H26N2O4S/c1-13-5-3-4-10-20(13)25(22,23)17-11-15(8-9-16(17)24-2)18(21)19-12-14-6-7-14/h8-9,11,13-14H,3-7,10,12H2,1-2H3,(H,19,21)
InChIKeyUBOXZEGWAHIXQX-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-[(2,4-dimethylphenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46590934
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-[(3-chlorophenyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55345724
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 11932592
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
4-methoxy-N-[3-(N-methylanilino)propyl]-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 51672183
N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509
[(2S)-1-methoxy-1-oxopropan-2-yl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 51480092
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55659114

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 43050283) is N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc(C(=O)NCC2CC2)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is UBOXZEGWAHIXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13-5-3-4-10-20(13)25(22,23)17-11-15(8-9-16(17)24-2)18(21)19-12-14-6-7-14/h8-9,11,13-14H,3-7,10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 43050283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).