3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide

C20H26N2O5S — CID 26011119

IUPAC3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCCCOc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC
InChIInChI=1S/C20H26N2O5S/c1-4-11-27-18-10-9-16(13-19(18)26-5-2)20(23)22-14(3)15-7-6-8-17(12-15)28(21,24)25/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,23)(H2,21,24,25)/t14-/m1/s1
InChIKeyWBBRGVUAKGNRJS-CQSZACIVSA-N
MW406.50 g/mol
LogP3.01
Rot. Bonds9

About 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide

3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide (PubChem CID 26011119) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
PubChem CID26011119
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCCCOc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC
InChIInChI=1S/C20H26N2O5S/c1-4-11-27-18-10-9-16(13-19(18)26-5-2)20(23)22-14(3)15-7-6-8-17(12-15)28(21,24)25/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,23)(H2,21,24,25)/t14-/m1/s1
InChIKeyWBBRGVUAKGNRJS-CQSZACIVSA-N
XLogP3.01
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46421231
4-oxo-4-(4-propoxyphenyl)-N-[1-(3-sulfamoylphenyl)ethyl]butanamide
CID 55396046
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
N-[1-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 78808076

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide (CID 26011119) is 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide is CCCOc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC.
What is the InChIKey of 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is WBBRGVUAKGNRJS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-11-27-18-10-9-16(13-19(18)26-5-2)20(23)22-14(3)15-7-6-8-17(12-15)28(21,24)25/h6-10,12-14H,4-5,11H2,1-3H3,(H,22,23)(H2,21,24,25)/t14-/m1/s1.
What are the key properties of 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide?
3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 406.50 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 26011119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).