N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride

C18H26ClN3O3S2 — CID 119466086

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
SMILESCc1cc(CCCC(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c(C)s1.Cl
InChIInChI=1S/C18H25N3O3S2.ClH/c1-13-11-15(14(2)25-13)5-3-8-18(22)21-16-6-4-7-17(12-16)26(23,24)20-10-9-19;/h4,6-7,11-12,20H,3,5,8-10,19H2,1-2H3,(H,21,22);1H
InChIKeyINNLKFPDULZRRS-UHFFFAOYSA-N
MW432.01 g/mol
LogP2.99
Rot. Bonds9

About N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride (PubChem CID 119466086) has the molecular formula C18H26ClN3O3S2 and a molecular weight of 432.01 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
PubChem CID119466086
Molecular FormulaC18H26ClN3O3S2
Molecular Weight432.01 g/mol
Exact Mass431.11
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
SMILESCc1cc(CCCC(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c(C)s1.Cl
InChIInChI=1S/C18H25N3O3S2.ClH/c1-13-11-15(14(2)25-13)5-3-8-18(22)21-16-6-4-7-17(12-16)26(23,24)20-10-9-19;/h4,6-7,11-12,20H,3,5,8-10,19H2,1-2H3,(H,21,22);1H
InChIKeyINNLKFPDULZRRS-UHFFFAOYSA-N
XLogP2.99
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119465473
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
CID 119465611
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
CID 119465959
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(4-chlorothiophen-2-yl)propanamide
CID 119465707
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119465990

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride (CID 119466086) is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride is Cc1cc(CCCC(=O)Nc2cccc(S(=O)(=O)NCCN)c2)c(C)s1.Cl.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
The InChIKey is INNLKFPDULZRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2.ClH/c1-13-11-15(14(2)25-13)5-3-8-18(22)21-16-6-4-7-17(12-16)26(23,24)20-10-9-19;/h4,6-7,11-12,20H,3,5,8-10,19H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride has a molecular weight of 432.01 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119466086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).