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

C24H28N2O5S — CID 43891194

IUPACN-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C24H28N2O5S/c1-17(2)19-11-12-22(30-3)23(15-19)32(28,29)26-21(14-18-8-5-4-6-9-18)24(27)25-16-20-10-7-13-31-20/h4-13,15,17,21,26H,14,16H2,1-3H3,(H,25,27)
InChIKeyGPASKDJKSFUQAN-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.62
Rot. Bonds10

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

N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891194) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891194
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCc1ccco1
InChIInChI=1S/C24H28N2O5S/c1-17(2)19-11-12-22(30-3)23(15-19)32(28,29)26-21(14-18-8-5-4-6-9-18)24(27)25-16-20-10-7-13-31-20/h4-13,15,17,21,26H,14,16H2,1-3H3,(H,25,27)
InChIKeyGPASKDJKSFUQAN-UHFFFAOYSA-N
XLogP3.62
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891174
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]-3-phenylpropanamide
CID 43891216
(2R)-N-(furan-2-ylmethyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7476998
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891180
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 28539814
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
N-ethyl-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891290
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 28542536
butyl 4-[[2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzoate
CID 43891282

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891194) is N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is GPASKDJKSFUQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-17(2)19-11-12-22(30-3)23(15-19)32(28,29)26-21(14-18-8-5-4-6-9-18)24(27)25-16-20-10-7-13-31-20/h4-13,15,17,21,26H,14,16H2,1-3H3,(H,25,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 456.56 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).