N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide

C16H18N2O4S — CID 742884

IUPACN-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(19)18(2)14-6-4-13(5-7-14)17-23(20,21)16-10-8-15(22-3)9-11-16/h4-11,17H,1-3H3
InChIKeyHJQPTPPDDHUSIF-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.48
Rot. Bonds5

About N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide

N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 742884) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID742884
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC NameN-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-12(19)18(2)14-6-4-13(5-7-14)17-23(20,21)16-10-8-15(22-3)9-11-16/h4-11,17H,1-3H3
InChIKeyHJQPTPPDDHUSIF-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
5-Amino-N-(4-methoxy-phenyl)-2-pyrrolidin-1-yl-benzenesulfonamide
CID 3688660
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
5-amino-N-(4-methoxyphenyl)-2-(piperidin-1-yl)benzene-1-sulfonamide
CID 3792687
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
4-Methoxy-N-[4-(piperidine-1-sulfonyl)-phenyl]-benzenesulfonamide
CID 652426
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]cyclobutanecarboxamide
CID 4800134
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide (CID 742884) is N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide is COc1ccc(S(=O)(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is HJQPTPPDDHUSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12(19)18(2)14-6-4-13(5-7-14)17-23(20,21)16-10-8-15(22-3)9-11-16/h4-11,17H,1-3H3.
What are the key properties of N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide?
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 334.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 742884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).