2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide

C23H28ClN3O4S — CID 5323111

IUPAC2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(Cl)cc3)C(C)C)ccc21
InChIInChI=1S/C23H28ClN3O4S/c1-15(2)22(23(29)25-14-17-6-8-19(24)9-7-17)26-32(30,31)20-10-11-21-18(13-20)5-4-12-27(21)16(3)28/h6-11,13,15,22,26H,4-5,12,14H2,1-3H3,(H,25,29)
InChIKeyVXHKIKVQXZGTGC-UHFFFAOYSA-N
MW478.01 g/mol
LogP3.26
Rot. Bonds7

About 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide

2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide (PubChem CID 5323111) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide
PubChem CID5323111
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(Cl)cc3)C(C)C)ccc21
InChIInChI=1S/C23H28ClN3O4S/c1-15(2)22(23(29)25-14-17-6-8-19(24)9-7-17)26-32(30,31)20-10-11-21-18(13-20)5-4-12-27(21)16(3)28/h6-11,13,15,22,26H,4-5,12,14H2,1-3H3,(H,25,29)
InChIKeyVXHKIKVQXZGTGC-UHFFFAOYSA-N
XLogP3.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 92662217
1-acetyl-N-[(1S)-1-(4-chlorophenyl)-2-methylpropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 25490576
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-[(2R)-4-phenylbutan-2-yl]butanamide
CID 92661510
(2R)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 92662221
(2S)-2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 92662222
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 5322974

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide (CID 5323111) is 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide is CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(Cl)cc3)C(C)C)ccc21.
What is the InChIKey of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide?
The InChIKey is VXHKIKVQXZGTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-15(2)22(23(29)25-14-17-6-8-19(24)9-7-17)26-32(30,31)20-10-11-21-18(13-20)5-4-12-27(21)16(3)28/h6-11,13,15,22,26H,4-5,12,14H2,1-3H3,(H,25,29).
What are the key properties of 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide?
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide has a molecular weight of 478.01 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-[(4-chlorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 5323111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).