3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

C20H26N2O4S — CID 35509180

IUPAC3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-4-5-16(2)19(14-15)27(24,25)22-13-11-20(23)21-12-10-17-6-8-18(26-3)9-7-17/h4-9,14,22H,10-13H2,1-3H3,(H,21,23)
InChIKeyRIQLHJQACJNVMH-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.34
Rot. Bonds9

About 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 35509180) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID35509180
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H26N2O4S/c1-15-4-5-16(2)19(14-15)27(24,25)22-13-11-20(23)21-12-10-17-6-8-18(26-3)9-7-17/h4-9,14,22H,10-13H2,1-3H3,(H,21,23)
InChIKeyRIQLHJQACJNVMH-UHFFFAOYSA-N
XLogP2.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38503560
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108574288
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71903899
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate
CID 7981526
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 126412703
3-(2,6-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025785
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 35509180) is 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is RIQLHJQACJNVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-4-5-16(2)19(14-15)27(24,25)22-13-11-20(23)21-12-10-17-6-8-18(26-3)9-7-17/h4-9,14,22H,10-13H2,1-3H3,(H,21,23).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 35509180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).