2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C15H23ClN2O5S — CID 113153011

IUPAC2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C15H23ClN2O5S/c1-15(2,3)18(24(6,20)21)9-14(19)17-11-8-12(22-4)10(16)7-13(11)23-5/h7-8H,9H2,1-6H3,(H,17,19)
InChIKeyQSDMCGXAMFUWLP-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.36
Rot. Bonds6

About 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 113153011) has the molecular formula C15H23ClN2O5S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID113153011
Molecular FormulaC15H23ClN2O5S
Molecular Weight378.88 g/mol
Exact Mass378.10
IUPAC Name2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C15H23ClN2O5S/c1-15(2,3)18(24(6,20)21)9-14(19)17-11-8-12(22-4)10(16)7-13(11)23-5/h7-8H,9H2,1-6H3,(H,17,19)
InChIKeyQSDMCGXAMFUWLP-UHFFFAOYSA-N
XLogP2.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[tert-butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113152964
2-[tert-butyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113152955
3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113140891
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2202394
3-(tert-butylamino)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 60850759
2-[acetyl(cyclohexyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113159589
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113148028
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
2-[benzyl(propan-2-yl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 24582098
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148226

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 113153011) is 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C(C)(C)C)S(C)(=O)=O)c(OC)cc1Cl.
What is the InChIKey of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is QSDMCGXAMFUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O5S/c1-15(2,3)18(24(6,20)21)9-14(19)17-11-8-12(22-4)10(16)7-13(11)23-5/h7-8H,9H2,1-6H3,(H,17,19).
What are the key properties of 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 378.88 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methylsulfonyl)amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113153011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).