bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide

C21H20N2O4S — CID 18626077

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)c(NS(C)(=O)=O)c1.c1cc2cc-2c1
InChIInChI=1S/C15H16N2O4S.C6H4/c1-21-12-8-9-13(14(10-12)17-22(2,19)20)15(18)16-11-6-4-3-5-7-11;1-2-5-4-6(5)3-1/h3-10,17H,1-2H3,(H,16,18);1-4H
InChIKeyWBMFZVSBIREKTR-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.99
Rot. Bonds5

About bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide

bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide (PubChem CID 18626077) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide
PubChem CID18626077
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2)c(NS(C)(=O)=O)c1.c1cc2cc-2c1
InChIInChI=1S/C15H16N2O4S.C6H4/c1-21-12-8-9-13(14(10-12)17-22(2,19)20)15(18)16-11-6-4-3-5-7-11;1-2-5-4-6(5)3-1/h3-10,17H,1-2H3,(H,16,18);1-4H
InChIKeyWBMFZVSBIREKTR-UHFFFAOYSA-N
XLogP3.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide with MolForge

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Related Compounds

4-methoxy-N,2-diphenylbenzamide
CID 156739257
5-acetamido-2-(methanesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 56516046
2-anilino-4-methoxy-N-methylbenzamide
CID 66646224
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
N-[4-(difluoromethoxy)phenyl]-2-(methanesulfonamido)benzamide
CID 51166116
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 55585903
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide (CID 18626077) is bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide is COc1ccc(C(=O)Nc2ccccc2)c(NS(C)(=O)=O)c1.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide?
The InChIKey is WBMFZVSBIREKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S.C6H4/c1-21-12-8-9-13(14(10-12)17-22(2,19)20)15(18)16-11-6-4-3-5-7-11;1-2-5-4-6(5)3-1/h3-10,17H,1-2H3,(H,16,18);1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide?
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide has a molecular weight of 396.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;2-(methanesulfonamido)-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 18626077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).