3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

C15H24ClN3O3S — CID 119508576

IUPAC3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-16-8-9-17-15(19)13-4-3-5-14(10-13)22(20,21)18-11-12-6-7-12;/h3-5,10,12,16,18H,2,6-9,11H2,1H3,(H,17,19);1H
InChIKeyVESJPKGNCJTONA-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.14
Rot. Bonds9

About 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride

3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (PubChem CID 119508576) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
PubChem CID119508576
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
SMILESCCNCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-16-8-9-17-15(19)13-4-3-5-14(10-13)22(20,21)18-11-12-6-7-12;/h3-5,10,12,16,18H,2,6-9,11H2,1H3,(H,17,19);1H
InChIKeyVESJPKGNCJTONA-UHFFFAOYSA-N
XLogP1.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-3-(2-methoxyethylsulfamoyl)benzamide;hydrochloride
CID 119504724
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
N-[2-(3-chlorophenyl)ethyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37002294
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
N-[3-(aminomethyl)pentan-3-yl]-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119571385
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide
CID 74243722
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
3-(cyclopropylmethylsulfamoyl)-N-(1,1-diphenylethyl)benzamide
CID 56523768
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride (CID 119508576) is 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is CCNCCNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1.Cl.
What is the InChIKey of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
The InChIKey is VESJPKGNCJTONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-2-16-8-9-17-15(19)13-4-3-5-14(10-13)22(20,21)18-11-12-6-7-12;/h3-5,10,12,16,18H,2,6-9,11H2,1H3,(H,17,19);1H.
What are the key properties of 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride?
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119508576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).