N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride

C18H26ClN3O3S2 — CID 120886799

IUPACN-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCCc1ccc(C(=O)N(CCN)CCc2ccccc2)s1.Cl
InChIInChI=1S/C18H25N3O3S2.ClH/c1-26(23,24)20-12-9-16-7-8-17(25-16)18(22)21(14-11-19)13-10-15-5-3-2-4-6-15;/h2-8,20H,9-14,19H2,1H3;1H
InChIKeyWZFAKNZETHCKOQ-UHFFFAOYSA-N
MW432.01 g/mol
LogP1.91
Rot. Bonds10

About N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride

N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120886799) has the molecular formula C18H26ClN3O3S2 and a molecular weight of 432.01 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID120886799
Molecular FormulaC18H26ClN3O3S2
Molecular Weight432.01 g/mol
Exact Mass431.11
IUPAC NameN-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCCc1ccc(C(=O)N(CCN)CCc2ccccc2)s1.Cl
InChIInChI=1S/C18H25N3O3S2.ClH/c1-26(23,24)20-12-9-16-7-8-17(25-16)18(22)21(14-11-19)13-10-15-5-3-2-4-6-15;/h2-8,20H,9-14,19H2,1H3;1H
InChIKeyWZFAKNZETHCKOQ-UHFFFAOYSA-N
XLogP1.91
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide
CID 46533734
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
2-[2-[[5-[2-(methanesulfonamido)ethyl]thiophene-2-carbonyl]amino]phenyl]acetic acid
CID 119353163
N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide
CID 120885066

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride (CID 120886799) is N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride is CS(=O)(=O)NCCc1ccc(C(=O)N(CCN)CCc2ccccc2)s1.Cl.
What is the InChIKey of N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is WZFAKNZETHCKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2.ClH/c1-26(23,24)20-12-9-16-7-8-17(25-16)18(22)21(14-11-19)13-10-15-5-3-2-4-6-15;/h2-8,20H,9-14,19H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 432.01 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120886799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).