N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide

C18H23N3O3S2 — CID 119465571

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-2-25-13-14-6-8-15(9-7-14)18(22)21-16-4-3-5-17(12-16)26(23,24)20-11-10-19/h3-9,12,20H,2,10-11,13,19H2,1H3,(H,21,22)
InChIKeyKKXIYHOAUDWMAD-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.43
Rot. Bonds9

About N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide (PubChem CID 119465571) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
PubChem CID119465571
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cc1
InChIInChI=1S/C18H23N3O3S2/c1-2-25-13-14-6-8-15(9-7-14)18(22)21-16-4-3-5-17(12-16)26(23,24)20-11-10-19/h3-9,12,20H,2,10-11,13,19H2,1H3,(H,21,22)
InChIKeyKKXIYHOAUDWMAD-UHFFFAOYSA-N
XLogP2.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119465589
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
CID 119465892
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(tert-butylsulfamoyl)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 9107968
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
4-(butylsulfamoyl)-N-(3-chlorophenyl)benzamide
CID 109058758
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide (CID 119465571) is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide is CCSCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCCN)c2)cc1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
The InChIKey is KKXIYHOAUDWMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-2-25-13-14-6-8-15(9-7-14)18(22)21-16-4-3-5-17(12-16)26(23,24)20-11-10-19/h3-9,12,20H,2,10-11,13,19H2,1H3,(H,21,22).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 2.43, 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-(ethylsulfanylmethyl)benzamide is sourced from PubChem (CID 119465571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).