N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide

C18H18N2O5S — CID 11707647

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyOAWUUPVZMNKZRY-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.71
Rot. Bonds6

About N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide

N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide (PubChem CID 11707647) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide
PubChem CID11707647
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyOAWUUPVZMNKZRY-UHFFFAOYSA-N
XLogP1.71
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide (CID 11707647) is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide is COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide?
The InChIKey is OAWUUPVZMNKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide?
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide has a molecular weight of 374.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide is sourced from PubChem (CID 11707647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).