N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide

C21H27N3O5S — CID 24595720

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1
InChIInChI=1S/C21H27N3O5S/c1-5-15-7-10-17(11-8-15)24-30(27,28)19-13-16(9-12-18(19)29-4)21(26)23-14(3)20(25)22-6-2/h7-14,24H,5-6H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBFEFESAFVBGXDJ-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.31
Rot. Bonds9

About N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide (PubChem CID 24595720) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
PubChem CID24595720
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1
InChIInChI=1S/C21H27N3O5S/c1-5-15-7-10-17(11-8-15)24-30(27,28)19-13-16(9-12-18(19)29-4)21(26)23-14(3)20(25)22-6-2/h7-14,24H,5-6H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBFEFESAFVBGXDJ-UHFFFAOYSA-N
XLogP2.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
3-[(4-bromophenyl)sulfamoyl]-N-butan-2-yl-4-methoxybenzamide
CID 43002606
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
CID 24660944
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 43045932
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 24537959

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide (CID 24595720) is N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide is CCNC(=O)C(C)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
The InChIKey is BFEFESAFVBGXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-5-15-7-10-17(11-8-15)24-30(27,28)19-13-16(9-12-18(19)29-4)21(26)23-14(3)20(25)22-6-2/h7-14,24H,5-6H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide has a molecular weight of 433.53 g/mol, XLogP of 2.31, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 24595720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).