N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide

C18H21ClN2O5S — CID 22307377

IUPACN-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(Cl)c2C)c(OC)c1S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O5S/c1-11-12(19)6-5-7-13(11)21-16(22)10-20-14-8-9-15(25-2)18(17(14)26-3)27(4,23)24/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyIWIWWILTXYRTON-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.12
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide

N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide (PubChem CID 22307377) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
PubChem CID22307377
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2cccc(Cl)c2C)c(OC)c1S(C)(=O)=O
InChIInChI=1S/C18H21ClN2O5S/c1-11-12(19)6-5-7-13(11)21-16(22)10-20-14-8-9-15(25-2)18(17(14)26-3)27(4,23)24/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyIWIWWILTXYRTON-UHFFFAOYSA-N
XLogP3.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 9099219
N-(2-bromophenyl)-2-(3,4-dimethoxy-2-methylsulfonylanilino)acetamide
CID 22303984
2-(3-chloro-4-methoxy-2-methylsulfonylanilino)-N-(2-ethoxyphenyl)acetamide
CID 22304423
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 22304063
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-(3-chloro-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955088
N-(3-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109038272
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681361

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide (CID 22307377) is N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide is COc1ccc(NCC(=O)Nc2cccc(Cl)c2C)c(OC)c1S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide?
The InChIKey is IWIWWILTXYRTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-11-12(19)6-5-7-13(11)21-16(22)10-20-14-8-9-15(25-2)18(17(14)26-3)27(4,23)24/h5-9,20H,10H2,1-4H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide?
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide has a molecular weight of 412.90 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2,4-dimethoxy-3-methylsulfonylanilino)acetamide is sourced from PubChem (CID 22307377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).