N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C23H30N2O4S — CID 46436540

IUPACN-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1ccccc1OC
InChIInChI=1S/C23H30N2O4S/c1-4-21(20-10-5-6-11-22(20)29-3)24-23(26)18-12-14-19(15-13-18)30(27,28)25-16-8-7-9-17(25)2/h5-6,10-15,17,21H,4,7-9,16H2,1-3H3,(H,24,26)
InChIKeyTVDNEKUVQAJANI-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.14
Rot. Bonds7

About N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46436540) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46436540
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1ccccc1OC
InChIInChI=1S/C23H30N2O4S/c1-4-21(20-10-5-6-11-22(20)29-3)24-23(26)18-12-14-19(15-13-18)30(27,28)25-16-8-7-9-17(25)2/h5-6,10-15,17,21H,4,7-9,16H2,1-3H3,(H,24,26)
InChIKeyTVDNEKUVQAJANI-UHFFFAOYSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46485568
(2S)-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]hexanoic acid
CID 120614059
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55654076
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
N-[(2S)-2-ethoxy-2-phenylethyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 124859057
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881646
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 98449460
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881608

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 46436540) is N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is TVDNEKUVQAJANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-4-21(20-10-5-6-11-22(20)29-3)24-23(26)18-12-14-19(15-13-18)30(27,28)25-16-8-7-9-17(25)2/h5-6,10-15,17,21H,4,7-9,16H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46436540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).