N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride

C17H28ClN3O4S — CID 120722908

IUPACN-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride
SMILESCCC(=O)NCc1cc(S(=O)(=O)NC2CNCCC2C)ccc1OC.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-17(21)19-10-13-9-14(5-6-16(13)24-3)25(22,23)20-15-11-18-8-7-12(15)2;/h5-6,9,12,15,18,20H,4,7-8,10-11H2,1-3H3,(H,19,21);1H
InChIKeyQJIPGHJPJZQTLM-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.42
Rot. Bonds7

About N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride

N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride (PubChem CID 120722908) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride
PubChem CID120722908
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC NameN-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride
SMILESCCC(=O)NCc1cc(S(=O)(=O)NC2CNCCC2C)ccc1OC.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-4-17(21)19-10-13-9-14(5-6-16(13)24-3)25(22,23)20-15-11-18-8-7-12(15)2;/h5-6,9,12,15,18,20H,4,7-8,10-11H2,1-3H3,(H,19,21);1H
InChIKeyQJIPGHJPJZQTLM-UHFFFAOYSA-N
XLogP1.42
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120723104
N-[[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-methoxyphenyl]methyl]propanamide
CID 120582674
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120723237
3-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722663
N-[2-bromo-4-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120723238
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
3,4-dichloro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722990
ethyl 5-[(4-methylpiperidin-3-yl)sulfamoyl]-2,3-dihydro-1-benzofuran-2-carboxylate;hydrochloride
CID 120723211
3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120723173
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride (CID 120722908) is N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride is CCC(=O)NCc1cc(S(=O)(=O)NC2CNCCC2C)ccc1OC.Cl.
What is the InChIKey of N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride?
The InChIKey is QJIPGHJPJZQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-4-17(21)19-10-13-9-14(5-6-16(13)24-3)25(22,23)20-15-11-18-8-7-12(15)2;/h5-6,9,12,15,18,20H,4,7-8,10-11H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride?
N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-[(4-methylpiperidin-3-yl)sulfamoyl]phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120722908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).