N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

C21H28N2O4S — CID 24538291

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)18-6-10-20(11-7-18)28(25,26)23-15-13-21(24)22-14-12-17-4-8-19(27-3)9-5-17/h4-11,16,23H,12-15H2,1-3H3,(H,22,24)
InChIKeyPKVABXSIZITLIW-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.85
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 24538291) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID24538291
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-16(2)18-6-10-20(11-7-18)28(25,26)23-15-13-21(24)22-14-12-17-4-8-19(27-3)9-5-17/h4-11,16,23H,12-15H2,1-3H3,(H,22,24)
InChIKeyPKVABXSIZITLIW-UHFFFAOYSA-N
XLogP2.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 5154817
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 35509180
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (CID 24538291) is N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is COc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is PKVABXSIZITLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-16(2)18-6-10-20(11-7-18)28(25,26)23-15-13-21(24)22-14-12-17-4-8-19(27-3)9-5-17/h4-11,16,23H,12-15H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 404.53 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24538291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).