N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide

C16H18N2O4S — CID 35368704

IUPACN-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)ccc1C
InChIInChI=1S/C16H18N2O4S/c1-11-8-9-12(10-15(11)22-2)16(19)17-13-6-4-5-7-14(13)18-23(3,20)21/h4-10,18H,1-3H3,(H,17,19)
InChIKeyMLDABHFXEBBQHX-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.63
Rot. Bonds5

About N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide

N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide (PubChem CID 35368704) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
PubChem CID35368704
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)ccc1C
InChIInChI=1S/C16H18N2O4S/c1-11-8-9-12(10-15(11)22-2)16(19)17-13-6-4-5-7-14(13)18-23(3,20)21/h4-10,18H,1-3H3,(H,17,19)
InChIKeyMLDABHFXEBBQHX-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
CID 19062657
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
4-fluoro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368090
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-[2-(methanesulfonamido)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 35368490
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide (CID 35368704) is N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccccc2NS(C)(=O)=O)ccc1C.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide?
The InChIKey is MLDABHFXEBBQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-11-8-9-12(10-15(11)22-2)16(19)17-13-6-4-5-7-14(13)18-23(3,20)21/h4-10,18H,1-3H3,(H,17,19).
What are the key properties of N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide?
N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide has a molecular weight of 334.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 35368704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).