N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide

C20H24N2O5S — CID 22307488

IUPACN-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCOc1cc(NCC(=O)NC2CC2)c(OC)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H24N2O5S/c1-13-4-8-16(9-5-13)28(24,25)18-11-15(26-2)10-17(20(18)27-3)21-12-19(23)22-14-6-7-14/h4-5,8-11,14,21H,6-7,12H2,1-3H3,(H,22,23)
InChIKeyFBSCDZBTKWFSLH-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.54
Rot. Bonds8

About N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide

N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide (PubChem CID 22307488) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
PubChem CID22307488
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
SMILESCOc1cc(NCC(=O)NC2CC2)c(OC)c(S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H24N2O5S/c1-13-4-8-16(9-5-13)28(24,25)18-11-15(26-2)10-17(20(18)27-3)21-12-19(23)22-14-6-7-14/h4-5,8-11,14,21H,6-7,12H2,1-3H3,(H,22,23)
InChIKeyFBSCDZBTKWFSLH-UHFFFAOYSA-N
XLogP2.54
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304151
N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304403
N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22304368
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 22303956
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
CID 80730738
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
2-(2-amino-5-sulfamoylanilino)-N-cyclopropylacetamide
CID 82907918
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide (CID 22307488) is N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide is COc1cc(NCC(=O)NC2CC2)c(OC)c(S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
The InChIKey is FBSCDZBTKWFSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13-4-8-16(9-5-13)28(24,25)18-11-15(26-2)10-17(20(18)27-3)21-12-19(23)22-14-6-7-14/h4-5,8-11,14,21H,6-7,12H2,1-3H3,(H,22,23).
What are the key properties of N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide?
N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide has a molecular weight of 404.49 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide is sourced from PubChem (CID 22307488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).