N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C19H30N2O5S — CID 55408143

IUPACN-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H30N2O5S/c1-16-6-3-4-12-21(16)27(23,24)18-9-7-17(8-10-18)19(22)20-11-5-13-26-15-14-25-2/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,22)
InChIKeyYQKSUGWEWPCAHQ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.03
Rot. Bonds10

About N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55408143) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55408143
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOCCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H30N2O5S/c1-16-6-3-4-12-21(16)27(23,24)18-9-7-17(8-10-18)19(22)20-11-5-13-26-15-14-25-2/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,22)
InChIKeyYQKSUGWEWPCAHQ-UHFFFAOYSA-N
XLogP2.03
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407992
1-(2-methoxyethyl)-3-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]urea
CID 110309158
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177
N-[(2S)-2-ethoxy-2-phenylethyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 124859057
N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119524840
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 55535664

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55408143) is N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is COCCOCCCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2C)cc1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is YQKSUGWEWPCAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-16-6-3-4-12-21(16)27(23,24)18-9-7-17(8-10-18)19(22)20-11-5-13-26-15-14-25-2/h7-10,16H,3-6,11-15H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 398.53 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55408143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).