5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide

C18H21N3O5S — CID 53283048

IUPAC5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1C(=O)NC(C)C
InChIInChI=1S/C18H21N3O5S/c1-11(2)20-18(23)15-10-14(7-8-16(15)26-3)27(24,25)21-13-6-4-5-12(9-13)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23)
InChIKeyMHDQRCNNPNKKMW-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.73
Rot. Bonds7

About 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide

5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 53283048) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
PubChem CID53283048
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1C(=O)NC(C)C
InChIInChI=1S/C18H21N3O5S/c1-11(2)20-18(23)15-10-14(7-8-16(15)26-3)27(24,25)21-13-6-4-5-12(9-13)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23)
InChIKeyMHDQRCNNPNKKMW-UHFFFAOYSA-N
XLogP1.73
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenyl)sulfamoyl]-2-methoxybenzamide
CID 27243034
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 27648289
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
3-[(3-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062201
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 27648381
2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide
CID 100531007
2-methoxy-5-[(3-methylphenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 53283069
5-[(3-ethoxyphenyl)sulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282739
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
2-methoxy-5-[[(1R)-1-(4-methylphenyl)ethyl]sulfamoyl]-N-propan-2-ylbenzamide
CID 28572520

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide (CID 53283048) is 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1C(=O)NC(C)C.
What is the InChIKey of 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is MHDQRCNNPNKKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-11(2)20-18(23)15-10-14(7-8-16(15)26-3)27(24,25)21-13-6-4-5-12(9-13)17(19)22/h4-11,21H,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?
5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylphenyl)sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 53283048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).