N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide

C14H23N3O3S — CID 106340243

IUPACN-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C14H23N3O3S/c1-4-16-21(19,20)10-9-15-14(18)12-7-5-6-8-13(12)17-11(2)3/h5-8,11,16-17H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyYJMNIYDJMOYEKP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.18
Rot. Bonds8

About N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide

N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide (PubChem CID 106340243) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
PubChem CID106340243
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
SMILESCCNS(=O)(=O)CCNC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C14H23N3O3S/c1-4-16-21(19,20)10-9-15-14(18)12-7-5-6-8-13(12)17-11(2)3/h5-8,11,16-17H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyYJMNIYDJMOYEKP-UHFFFAOYSA-N
XLogP1.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylbenzamide
CID 106340919
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-[2-(ethylsulfamoyl)ethyl]-2-[2-(methylamino)ethyl]benzamide
CID 106337113
N-(3-aminopropyl)-2-(propan-2-ylamino)benzamide
CID 63107952
N-(2-methylsulfanylethyl)-2-(propan-2-ylamino)benzamide
CID 63957461
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
N-(4-amino-4-oxobutyl)-2-(propan-2-ylamino)benzamide
CID 63107810
methyl 3-[[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108007
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
N-(2-methyl-2-methylsulfonylpropyl)-2-(propan-2-ylamino)benzamide
CID 79558263
2-(ethylamino)-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzamide
CID 106342576

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide (CID 106340243) is N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide is CCNS(=O)(=O)CCNC(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is YJMNIYDJMOYEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-16-21(19,20)10-9-15-14(18)12-7-5-6-8-13(12)17-11(2)3/h5-8,11,16-17H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide?
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 313.42 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 106340243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).