3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide

C19H21N3O5S — CID 22109314

IUPAC3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1NC(C)=O
InChIInChI=1S/C19H21N3O5S/c1-12(23)20-17-11-16(8-9-18(17)27-2)28(25,26)22-15-5-3-4-13(10-15)19(24)21-14-6-7-14/h3-5,8-11,14,22H,6-7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVRMXOHMZILHVTA-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.35
Rot. Bonds7

About 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide

3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide (PubChem CID 22109314) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide
PubChem CID22109314
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1NC(C)=O
InChIInChI=1S/C19H21N3O5S/c1-12(23)20-17-11-16(8-9-18(17)27-2)28(25,26)22-15-5-3-4-13(10-15)19(24)21-14-6-7-14/h3-5,8-11,14,22H,6-7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyVRMXOHMZILHVTA-UHFFFAOYSA-N
XLogP2.35
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[(3,4-dimethoxyphenyl)sulfamoyl]benzamide
CID 109062347
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
N-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 6460904
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-cyclopropyl-3-[(4-cyclopropylphenyl)sulfonylamino]benzamide
CID 167833629
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787
3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide?
The IUPAC name of 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide (CID 22109314) is 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1NC(C)=O.
What is the InChIKey of 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide?
The InChIKey is VRMXOHMZILHVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-12(23)20-17-11-16(8-9-18(17)27-2)28(25,26)22-15-5-3-4-13(10-15)19(24)21-14-6-7-14/h3-5,8-11,14,22H,6-7H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide?
3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide has a molecular weight of 403.46 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 22109314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).