N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide

C20H26N2O4S — CID 113057949

IUPACN-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H26N2O4S/c1-14-6-7-18(12-15(14)2)22(17(4)23)11-10-21-27(24,25)19-8-9-20(26-5)16(3)13-19/h6-9,12-13,21H,10-11H2,1-5H3
InChIKeyBNBKBDCPCCSYRA-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.95
Rot. Bonds7

About N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide

N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113057949) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113057949
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H26N2O4S/c1-14-6-7-18(12-15(14)2)22(17(4)23)11-10-21-27(24,25)19-8-9-20(26-5)16(3)13-19/h6-9,12-13,21H,10-11H2,1-5H3
InChIKeyBNBKBDCPCCSYRA-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-(3,4-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113057963
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113060991
N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060265
N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064567
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556
N-(2,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061279
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]acetamide
CID 113057862

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113057949) is N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(S(=O)(=O)NCCN(C(C)=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is BNBKBDCPCCSYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-6-7-18(12-15(14)2)22(17(4)23)11-10-21-27(24,25)19-8-9-20(26-5)16(3)13-19/h6-9,12-13,21H,10-11H2,1-5H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide?
N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113057949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).