3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide

C23H31N3O6S — CID 131988337

IUPAC3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide
SMILESCNS(=O)(=O)NC(=O)CCN(CCCc1ccccc1)C(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C23H31N3O6S/c1-17-20(31-3)15-19(16-21(17)32-4)23(28)26(13-8-11-18-9-6-5-7-10-18)14-12-22(27)25-33(29,30)24-2/h5-7,9-10,15-16,24H,8,11-14H2,1-4H3,(H,25,27)
InChIKeyJCUVFJNQKHJFPF-UHFFFAOYSA-N
MW477.58 g/mol
LogP2.06
Rot. Bonds12

About 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide

3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide (PubChem CID 131988337) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide
PubChem CID131988337
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide
SMILESCNS(=O)(=O)NC(=O)CCN(CCCc1ccccc1)C(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C23H31N3O6S/c1-17-20(31-3)15-19(16-21(17)32-4)23(28)26(13-8-11-18-9-6-5-7-10-18)14-12-22(27)25-33(29,30)24-2/h5-7,9-10,15-16,24H,8,11-14H2,1-4H3,(H,25,27)
InChIKeyJCUVFJNQKHJFPF-UHFFFAOYSA-N
XLogP2.06
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-4-methyl-N-[5-oxo-5-(pyridin-2-ylsulfonylamino)pentyl]-N-(3-phenylpropyl)benzamide
CID 131988304
4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-(methylsulfamoyl)-1,3-thiazole-2-carboxamide
CID 70349194
N-[2-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyethyl]-3,5-dimethoxy-4-methyl-N-(3-phenylpropyl)benzamide
CID 131988288
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398
1-[2-[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]ethoxymethyl]cyclopropane-1-carboxylic acid
CID 131988427
2-[[(4-ethyl-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]methyl]-5-methyl-N-(methylsulfamoyl)-1,3-thiazole-4-carboxamide
CID 51353347
3-[2-[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]ethylsulfanyl]butanoic acid
CID 131988241
methyl 5-[(4-fluoro-3,5-dimethoxybenzoyl)-(3-phenylpropyl)amino]pentanoate
CID 131988415
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
CID 66775114
2-[[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]sulfonylamino]benzoic acid
CID 66977828
2-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]-N-(2-hydroxyethylsulfonyl)-1,3-thiazole-4-carboxamide
CID 70349248
methyl 5-[[4-(2-hydroxyethoxy)-3,5-dimethoxybenzoyl]-(3-phenylpropyl)amino]pentanoate
CID 138559061

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide (CID 131988337) is 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide is CNS(=O)(=O)NC(=O)CCN(CCCc1ccccc1)C(=O)c1cc(OC)c(C)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide?
The InChIKey is JCUVFJNQKHJFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-17-20(31-3)15-19(16-21(17)32-4)23(28)26(13-8-11-18-9-6-5-7-10-18)14-12-22(27)25-33(29,30)24-2/h5-7,9-10,15-16,24H,8,11-14H2,1-4H3,(H,25,27).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide?
3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide has a molecular weight of 477.58 g/mol, XLogP of 2.06, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[3-(methylsulfamoylamino)-3-oxopropyl]-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 131988337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).