2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride

C13H23ClN4O4S2 — CID 120831726

IUPAC2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1.Cl
InChIInChI=1S/C13H22N4O4S2.ClH/c1-9(14-3)6-16-12(19)8-17-23(20,21)13-5-4-11(22-13)7-15-10(2)18;/h4-5,9,14,17H,6-8H2,1-3H3,(H,15,18)(H,16,19);1H
InChIKeyMVEIOGPUKUAVED-UHFFFAOYSA-N
MW398.94 g/mol
LogP-0.19
Rot. Bonds9

About 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride

2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 120831726) has the molecular formula C13H23ClN4O4S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
PubChem CID120831726
Molecular FormulaC13H23ClN4O4S2
Molecular Weight398.94 g/mol
Exact Mass398.08
IUPAC Name2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1.Cl
InChIInChI=1S/C13H22N4O4S2.ClH/c1-9(14-3)6-16-12(19)8-17-23(20,21)13-5-4-11(22-13)7-15-10(2)18;/h4-5,9,14,17H,6-8H2,1-3H3,(H,15,18)(H,16,19);1H
InChIKeyMVEIOGPUKUAVED-UHFFFAOYSA-N
XLogP-0.19
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(acetamidomethyl)-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120832947
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 119988458
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553889
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 86896965
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 42918243
N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 120896924
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride (CID 120831726) is 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride is CNC(C)CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1.Cl.
What is the InChIKey of 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is MVEIOGPUKUAVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S2.ClH/c1-9(14-3)6-16-12(19)8-17-23(20,21)13-5-4-11(22-13)7-15-10(2)18;/h4-5,9,14,17H,6-8H2,1-3H3,(H,15,18)(H,16,19);1H.
What are the key properties of 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride?
2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of -0.19, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120831726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).