(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride

C18H22ClF2N3O3S — CID 119707038

IUPAC(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1.Cl
InChIInChI=1S/C18H21F2N3O3S.ClH/c1-11(2)9-16(21)18(24)22-13-4-6-14(7-5-13)27(25,26)23-17-8-3-12(19)10-15(17)20;/h3-8,10-11,16,23H,9,21H2,1-2H3,(H,22,24);1H/t16-;/m0./s1
InChIKeyDUANDYNTASMFAJ-NTISSMGPSA-N
MW433.91 g/mol
LogP3.50
Rot. Bonds7

About (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride (PubChem CID 119707038) has the molecular formula C18H22ClF2N3O3S and a molecular weight of 433.91 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride
PubChem CID119707038
Molecular FormulaC18H22ClF2N3O3S
Molecular Weight433.91 g/mol
Exact Mass433.10
IUPAC Name(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1.Cl
InChIInChI=1S/C18H21F2N3O3S.ClH/c1-11(2)9-16(21)18(24)22-13-4-6-14(7-5-13)27(25,26)23-17-8-3-12(19)10-15(17)20;/h3-8,10-11,16,23H,9,21H2,1-2H3,(H,22,24);1H/t16-;/m0./s1
InChIKeyDUANDYNTASMFAJ-NTISSMGPSA-N
XLogP3.50
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.91
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[4-(phenylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119680202
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2R)-N-(2,4-difluorophenyl)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 7973013
4-tert-butyl-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]benzamide
CID 2730339
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
(2S)-N-(2,4-difluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 7924414
(2S)-2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]pentanamide;hydrochloride
CID 119701898
2-(carbamoylamino)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-methylpentanamide
CID 3525774
(2R)-2-amino-4-methyl-N-(2,4,6-trifluorophenyl)pentanamide
CID 104903642
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)-4-methylpentanamide
CID 103808541
2-amino-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 61259711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride (CID 119707038) is (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride?
The InChIKey is DUANDYNTASMFAJ-NTISSMGPSA-N. The full InChI is InChI=1S/C18H21F2N3O3S.ClH/c1-11(2)9-16(21)18(24)22-13-4-6-14(7-5-13)27(25,26)23-17-8-3-12(19)10-15(17)20;/h3-8,10-11,16,23H,9,21H2,1-2H3,(H,22,24);1H/t16-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride has a molecular weight of 433.91 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119707038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).