3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide

C21H25N3O4S — CID 49498527

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc21
InChIInChI=1S/C21H25N3O4S/c1-5-11-24-12-10-15-13-17(7-8-18(15)24)22-21(25)16-6-9-19(28-4)20(14-16)29(26,27)23(2)3/h6-10,12-14H,5,11H2,1-4H3,(H,22,25)
InChIKeyYPFKJYWCDRSWKL-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.56
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide

3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide (PubChem CID 49498527) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide
PubChem CID49498527
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide
SMILESCCCn1ccc2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc21
InChIInChI=1S/C21H25N3O4S/c1-5-11-24-12-10-15-13-17(7-8-18(15)24)22-21(25)16-6-9-19(28-4)20(14-16)29(26,27)23(2)3/h6-10,12-14H,5,11H2,1-4H3,(H,22,25)
InChIKeyYPFKJYWCDRSWKL-UHFFFAOYSA-N
XLogP3.56
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-(9-ethylcarbazol-3-yl)-4-methoxybenzamide
CID 45374091
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16599804
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
2-chloro-N-(1-propylindol-5-yl)pyridine-4-carboxamide
CID 52806998
2-cyclopropyl-1,3-dioxo-N-(1-propylindol-5-yl)isoindole-5-carboxamide
CID 52806948
3-(dimethylsulfamoyl)-4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 55414711
(2R)-2-methyl-1-methylsulfonyl-N-(1-propylindol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 52503351

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide (CID 49498527) is 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide is CCCn1ccc2cc(NC(=O)c3ccc(OC)c(S(=O)(=O)N(C)C)c3)ccc21.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide?
The InChIKey is YPFKJYWCDRSWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-5-11-24-12-10-15-13-17(7-8-18(15)24)22-21(25)16-6-9-19(28-4)20(14-16)29(26,27)23(2)3/h6-10,12-14H,5,11H2,1-4H3,(H,22,25).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-(1-propylindol-5-yl)benzamide is sourced from PubChem (CID 49498527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).