N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide

C21H28N2O5S — CID 53286992

IUPACN-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1CNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-4-28-20-9-6-5-8-17(20)16-22-21(24)10-7-15-23(29(3,25)26)18-11-13-19(27-2)14-12-18/h5-6,8-9,11-14H,4,7,10,15-16H2,1-3H3,(H,22,24)
InChIKeyMJLRURRZTSEPSE-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.96
Rot. Bonds11

About N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide

N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 53286992) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID53286992
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
SMILESCCOc1ccccc1CNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O5S/c1-4-28-20-9-6-5-8-17(20)16-22-21(24)10-7-15-23(29(3,25)26)18-11-13-19(27-2)14-12-18/h5-6,8-9,11-14H,4,7,10,15-16H2,1-3H3,(H,22,24)
InChIKeyMJLRURRZTSEPSE-UHFFFAOYSA-N
XLogP2.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-(4-ethyl-N-methylsulfonylanilino)butanamide
CID 53286988
N-[(2-ethoxyphenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285488
N-[(2-ethoxyphenyl)methyl]-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286709
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 654680
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 53286646
N-[(2-ethoxyphenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30273805
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53286770
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]butanamide
CID 46773025
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92677455
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53279417
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide (CID 53286992) is N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide is CCOc1ccccc1CNC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is MJLRURRZTSEPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-4-28-20-9-6-5-8-17(20)16-22-21(24)10-7-15-23(29(3,25)26)18-11-13-19(27-2)14-12-18/h5-6,8-9,11-14H,4,7,10,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide?
N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 420.53 g/mol, XLogP of 2.96, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 53286992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).