3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride

C18H24ClN3O4S — CID 119731007

IUPAC3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride
SMILESCOc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)CC(C)N)cc2)cc1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-13(19)11-18(22)20-15-5-3-14(4-6-15)12-26(23,24)21-16-7-9-17(25-2)10-8-16;/h3-10,13,21H,11-12,19H2,1-2H3,(H,20,22);1H
InChIKeyXUQISJIBVMRXRN-UHFFFAOYSA-N
MW413.93 g/mol
LogP2.73
Rot. Bonds8

About 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride

3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride (PubChem CID 119731007) has the molecular formula C18H24ClN3O4S and a molecular weight of 413.93 g/mol. Its IUPAC name is 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride
PubChem CID119731007
Molecular FormulaC18H24ClN3O4S
Molecular Weight413.93 g/mol
Exact Mass413.12
IUPAC Name3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride
SMILESCOc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)CC(C)N)cc2)cc1.Cl
InChIInChI=1S/C18H23N3O4S.ClH/c1-13(19)11-18(22)20-15-5-3-14(4-6-15)12-26(23,24)21-16-7-9-17(25-2)10-8-16;/h3-10,13,21H,11-12,19H2,1-2H3,(H,20,22);1H
InChIKeyXUQISJIBVMRXRN-UHFFFAOYSA-N
XLogP2.73
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.93
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-[4-(2-methylsulfonylethyl)phenyl]butanamide
CID 120873362
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-[4-(cyanomethoxy)phenyl]butanamide
CID 61248145
3-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 60837802

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride (CID 119731007) is 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride is COc1ccc(NS(=O)(=O)Cc2ccc(NC(=O)CC(C)N)cc2)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride?
The InChIKey is XUQISJIBVMRXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S.ClH/c1-13(19)11-18(22)20-15-5-3-14(4-6-15)12-26(23,24)21-16-7-9-17(25-2)10-8-16;/h3-10,13,21H,11-12,19H2,1-2H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride?
3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(4-methoxyphenyl)sulfamoylmethyl]phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119731007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).