N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

C15H24N2O4S — CID 3608419

IUPACN-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C15H24N2O4S/c1-11-9-12(7-8-13(11)21-6)22(19,20)17(5)10-14(18)16-15(2,3)4/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyOIJUGPWHPQMBNG-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.54
Rot. Bonds5

About N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide

N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 3608419) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
PubChem CID3608419
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C15H24N2O4S/c1-11-9-12(7-8-13(11)21-6)22(19,20)17(5)10-14(18)16-15(2,3)4/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyOIJUGPWHPQMBNG-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 92512484
N-(4-bromophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 5128990
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 1248167
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546744
N-(3-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 3600540
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2230318
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100767629
N-tert-butyl-2-[methyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 9189054

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide (CID 3608419) is N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)(C)C)cc1C.
What is the InChIKey of N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is OIJUGPWHPQMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11-9-12(7-8-13(11)21-6)22(19,20)17(5)10-14(18)16-15(2,3)4/h7-9H,10H2,1-6H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide?
N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 328.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 3608419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).