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

C27H32N2O4S — CID 43891209

IUPACN-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C27H32N2O4S/c1-5-21-13-9-10-14-23(21)28-27(30)24(17-20-11-7-6-8-12-20)29-34(31,32)26-18-22(19(2)3)15-16-25(26)33-4/h6-16,18-19,24,29H,5,17H2,1-4H3,(H,28,30)
InChIKeyJQQNEDGEPQILBJ-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.91
Rot. Bonds10

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

N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891209) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891209
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(C(C)C)ccc1OC
InChIInChI=1S/C27H32N2O4S/c1-5-21-13-9-10-14-23(21)28-27(30)24(17-20-11-7-6-8-12-20)29-34(31,32)26-18-22(19(2)3)15-16-25(26)33-4/h6-16,18-19,24,29H,5,17H2,1-4H3,(H,28,30)
InChIKeyJQQNEDGEPQILBJ-UHFFFAOYSA-N
XLogP4.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891216
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
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
butyl 4-[[2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 43891282
N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891194
(2R)-N-(2,6-diethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540304
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
(2R)-N-(2,5-dimethylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28539862
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890485
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-phenoxyphenyl)-3-phenylpropanamide
CID 94861057
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891180

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891209) is N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is CCc1ccccc1NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cc(C(C)C)ccc1OC.
What is the InChIKey of N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is JQQNEDGEPQILBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-5-21-13-9-10-14-23(21)28-27(30)24(17-20-11-7-6-8-12-20)29-34(31,32)26-18-22(19(2)3)15-16-25(26)33-4/h6-16,18-19,24,29H,5,17H2,1-4H3,(H,28,30).
What are the key properties of N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 480.63 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).