3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C19H21N3O6S — CID 34304049

IUPAC3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3oc(C)nc3c2)cc1OC
InChIInChI=1S/C19H21N3O6S/c1-12-21-15-10-13(4-6-16(15)28-12)22-19(23)8-9-20-29(24,25)14-5-7-17(26-2)18(11-14)27-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,22,23)
InChIKeyPSFPGUWQSWNVCQ-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.46
Rot. Bonds8

About 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 34304049) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID34304049
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3oc(C)nc3c2)cc1OC
InChIInChI=1S/C19H21N3O6S/c1-12-21-15-10-13(4-6-16(15)28-12)22-19(23)8-9-20-29(24,25)14-5-7-17(26-2)18(11-14)27-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,22,23)
InChIKeyPSFPGUWQSWNVCQ-UHFFFAOYSA-N
XLogP2.46
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 26715751
N-(3-acetamido-4-methylphenyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845943
2-(2-methoxyphenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 25466884
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 9412008
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46424556
N-(2-methyl-1,3-benzoxazol-5-yl)-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 34304081
N-[6-(diethylamino)-3-pyridinyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 55845442
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55637009
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924823
N-(3-chloro-4-methoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390658
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30091951

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 34304049) is 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc3oc(C)nc3c2)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is PSFPGUWQSWNVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-12-21-15-10-13(4-6-16(15)28-12)22-19(23)8-9-20-29(24,25)14-5-7-17(26-2)18(11-14)27-3/h4-7,10-11,20H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 419.46 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 34304049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).