N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide

C25H27ClN2O4S — CID 43891216

IUPACN-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H27ClN2O4S/c1-17(2)19-13-14-23(32-3)24(16-19)33(30,31)28-22(15-18-9-5-4-6-10-18)25(29)27-21-12-8-7-11-20(21)26/h4-14,16-17,22,28H,15H2,1-3H3,(H,27,29)
InChIKeyACIAULQXELPQAG-UHFFFAOYSA-N
MW487.02 g/mol
LogP5.00
Rot. Bonds9

About N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide

N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891216) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891216
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC NameN-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C25H27ClN2O4S/c1-17(2)19-13-14-23(32-3)24(16-19)33(30,31)28-22(15-18-9-5-4-6-10-18)25(29)27-21-12-8-7-11-20(21)26/h4-14,16-17,22,28H,15H2,1-3H3,(H,27,29)
InChIKeyACIAULQXELPQAG-UHFFFAOYSA-N
XLogP5.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891209
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890485
N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891174
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
(2S)-N-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541743
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
N-(2,4-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871086
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540016
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861070
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-phenoxyphenyl)-3-phenylpropanamide
CID 94861057
N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891194

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891216) is N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is ACIAULQXELPQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-17(2)19-13-14-23(32-3)24(16-19)33(30,31)28-22(15-18-9-5-4-6-10-18)25(29)27-21-12-8-7-11-20(21)26/h4-14,16-17,22,28H,15H2,1-3H3,(H,27,29).
What are the key properties of N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 487.02 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).