5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride

C20H26ClN3O3S — CID 119438257

IUPAC5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-3-21-13-15-5-4-6-17(11-15)22-20(24)19-12-18(10-7-14(19)2)27(25,26)23-16-8-9-16;/h4-7,10-12,16,21,23H,3,8-9,13H2,1-2H3,(H,22,24);1H
InChIKeyLFNSOZCBFOFSHX-UHFFFAOYSA-N
MW423.97 g/mol
LogP3.22
Rot. Bonds8

About 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride

5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride (PubChem CID 119438257) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
PubChem CID119438257
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-3-21-13-15-5-4-6-17(11-15)22-20(24)19-12-18(10-7-14(19)2)27(25,26)23-16-8-9-16;/h4-7,10-12,16,21,23H,3,8-9,13H2,1-2H3,(H,22,24);1H
InChIKeyLFNSOZCBFOFSHX-UHFFFAOYSA-N
XLogP3.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 34744641
N-[3-[[[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55953105
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 24613986
5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 46401488
5-(cyclopropylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 24585975
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261
5-(cyclopropylsulfamoyl)-N-(9H-fluoren-2-yl)-2-methylbenzamide
CID 34074950
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
2-bromo-N-[3-(ethylaminomethyl)phenyl]-3-methylbenzamide
CID 107983060
[2-(3-chloroanilino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679348
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride (CID 119438257) is 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride is CCNCc1cccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)c1.Cl.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride?
The InChIKey is LFNSOZCBFOFSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-3-21-13-15-5-4-6-17(11-15)22-20(24)19-12-18(10-7-14(19)2)27(25,26)23-16-8-9-16;/h4-7,10-12,16,21,23H,3,8-9,13H2,1-2H3,(H,22,24);1H.
What are the key properties of 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride?
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 3.22, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119438257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).