3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide

C19H23Cl2N3O3S — CID 25418065

IUPAC3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESCC[C@@H](C)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23Cl2N3O3S/c1-3-13(2)22-11-10-19(25)23-16-8-9-17(21)18(12-16)28(26,27)24-15-6-4-14(20)5-7-15/h4-9,12-13,22,24H,3,10-11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyNBRNEBZSLMEYFA-CYBMUJFWSA-N
MW444.38 g/mol
LogP4.51
Rot. Bonds9

About 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide

3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide (PubChem CID 25418065) has the molecular formula C19H23Cl2N3O3S and a molecular weight of 444.38 g/mol. Its IUPAC name is 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
PubChem CID25418065
Molecular FormulaC19H23Cl2N3O3S
Molecular Weight444.38 g/mol
Exact Mass443.08
IUPAC Name3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESCC[C@@H](C)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23Cl2N3O3S/c1-3-13(2)22-11-10-19(25)23-16-8-9-17(21)18(12-16)28(26,27)24-15-6-4-14(20)5-7-15/h4-9,12-13,22,24H,3,10-11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyNBRNEBZSLMEYFA-CYBMUJFWSA-N
XLogP4.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 25418070
3-(butan-2-ylamino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 109013179
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
N-(3-bromo-4-methylphenyl)-3-(butan-2-ylamino)propanamide
CID 109013184
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
CID 9474134
2-chloro-5-[3-(propan-2-ylamino)propanoylamino]benzoic acid
CID 60854719
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 4796152
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide (CID 25418065) is 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide is CC[C@@H](C)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is NBRNEBZSLMEYFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3S/c1-3-13(2)22-11-10-19(25)23-16-8-9-17(21)18(12-16)28(26,27)24-15-6-4-14(20)5-7-15/h4-9,12-13,22,24H,3,10-11H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 444.38 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 25418065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).