N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide

C19H20N2O4S — CID 51124817

IUPACN-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)oc2c(C)cccc12
InChIInChI=1S/C19H20N2O4S/c1-12-5-4-6-16-13(2)18(25-17(12)16)19(22)20-11-14-7-9-15(10-8-14)21-26(3,23)24/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyPXGAKVPRMKIMQY-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.35
Rot. Bonds5

About N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide

N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 51124817) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
PubChem CID51124817
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)oc2c(C)cccc12
InChIInChI=1S/C19H20N2O4S/c1-12-5-4-6-16-13(2)18(25-17(12)16)19(22)20-11-14-7-9-15(10-8-14)21-26(3,23)24/h4-10,21H,11H2,1-3H3,(H,20,22)
InChIKeyPXGAKVPRMKIMQY-UHFFFAOYSA-N
XLogP3.35
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethoxymethyl)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 122132125
3,7-dimethyl-N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 47366244
3,7-dimethyl-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119504301
2-[[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99606154
3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
CID 55996601
2-[2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242689
3,5,7-trimethyl-N-[(4-phenoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 163347487
N'-benzoyl-3,7-dimethyl-1-benzofuran-2-carbohydrazide
CID 60564685
3,7-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1-benzofuran-2-carboxamide
CID 86779911
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 111480979
(2R)-2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119244664
N-[[4-(methanesulfonamido)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 166185009

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide (CID 51124817) is N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)oc2c(C)cccc12.
What is the InChIKey of N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is PXGAKVPRMKIMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-5-4-6-16-13(2)18(25-17(12)16)19(22)20-11-14-7-9-15(10-8-14)21-26(3,23)24/h4-10,21H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide?
N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methanesulfonamido)phenyl]methyl]-3,7-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51124817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).