4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide

C13H18ClN3O4S — CID 8751734

IUPAC4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C13H18ClN3O4S/c1-4-16-12(18)8(2)17-13(19)9-5-6-10(14)11(7-9)22(20,21)15-3/h5-8,15H,4H2,1-3H3,(H,16,18)(H,17,19)/t8-/m1/s1
InChIKeyUAMHCTTVBVTYLZ-MRVPVSSYSA-N
MW347.82 g/mol
LogP0.50
Rot. Bonds6

About 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide

4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide (PubChem CID 8751734) has the molecular formula C13H18ClN3O4S and a molecular weight of 347.82 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide
PubChem CID8751734
Molecular FormulaC13H18ClN3O4S
Molecular Weight347.82 g/mol
Exact Mass347.07
IUPAC Name4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C13H18ClN3O4S/c1-4-16-12(18)8(2)17-13(19)9-5-6-10(14)11(7-9)22(20,21)15-3/h5-8,15H,4H2,1-3H3,(H,16,18)(H,17,19)/t8-/m1/s1
InChIKeyUAMHCTTVBVTYLZ-MRVPVSSYSA-N
XLogP0.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 60630645
4-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8733033
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-[(2,5-dichlorophenyl)sulfanylmethyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8756892
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 8884838
4-chloro-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7581832
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
2-chloro-5-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-methylbenzenesulfonamide
CID 9480366
4-chloro-N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 9165471
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide (CID 8751734) is 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide is CCNC(=O)[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1.
What is the InChIKey of 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide?
The InChIKey is UAMHCTTVBVTYLZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18ClN3O4S/c1-4-16-12(18)8(2)17-13(19)9-5-6-10(14)11(7-9)22(20,21)15-3/h5-8,15H,4H2,1-3H3,(H,16,18)(H,17,19)/t8-/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide?
4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide has a molecular weight of 347.82 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 8751734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).