4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride

C16H26ClN3O4S — CID 119296365

IUPAC4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H25N3O4S.ClH/c17-9-1-4-16(20)18-11-13-5-7-15(8-6-13)24(21,22)19-12-14-3-2-10-23-14;/h5-8,14,19H,1-4,9-12,17H2,(H,18,20);1H
InChIKeyCVNYNPXCDZXQAF-UHFFFAOYSA-N
MW391.92 g/mol
LogP0.92
Rot. Bonds9

About 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride

4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119296365) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
PubChem CID119296365
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C16H25N3O4S.ClH/c17-9-1-4-16(20)18-11-13-5-7-15(8-6-13)24(21,22)19-12-14-3-2-10-23-14;/h5-8,14,19H,1-4,9-12,17H2,(H,18,20);1H
InChIKeyCVNYNPXCDZXQAF-UHFFFAOYSA-N
XLogP0.92
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096
(2S)-2-amino-3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296363
2-methyl-1-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 110917508
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
(Z)-3-cyclopropyl-N-[[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]methyl]but-2-enamide
CID 52515314
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
3-methyl-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]furan-2-carboxamide
CID 47058818
1-N-(oxolan-2-ylmethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide
CID 644660
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide
CID 95154808

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride (CID 119296365) is 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCc1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is CVNYNPXCDZXQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c17-9-1-4-16(20)18-11-13-5-7-15(8-6-13)24(21,22)19-12-14-3-2-10-23-14;/h5-8,14,19H,1-4,9-12,17H2,(H,18,20);1H.
What are the key properties of 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride?
4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119296365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).