N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

C20H20N2O4S — CID 1100140

IUPACN-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C20H20N2O4S/c1-26-17-10-6-9-16(13-17)21-20(23)14-22(27(2,24)25)19-12-5-8-15-7-3-4-11-18(15)19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyACQWQOQAZXEPHU-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.25
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide

N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (PubChem CID 1100140) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
PubChem CID1100140
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
SMILESCOc1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1
InChIInChI=1S/C20H20N2O4S/c1-26-17-10-6-9-16(13-17)21-20(23)14-22(27(2,24)25)19-12-5-8-15-7-3-4-11-18(15)19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyACQWQOQAZXEPHU-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30259702
2-(2-methoxy-N-methylsulfonylanilino)-N-naphthalen-2-ylacetamide
CID 1326815
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
N-(4-ethoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1098117
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methoxyphenyl)propanamide
CID 113144539
N-(3-methoxyphenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464513
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
N-[3-(4-tert-butylbenzoyl)phenyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 92679349
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 3271893
2-[ethyl(methylsulfonyl)amino]-N-(3-methoxyphenyl)acetamide
CID 47121758
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 1317383
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1338012

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide (CID 1100140) is N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is COc1cccc(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is ACQWQOQAZXEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-26-17-10-6-9-16(13-17)21-20(23)14-22(27(2,24)25)19-12-5-8-15-7-3-4-11-18(15)19/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide?
N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 384.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 1100140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).