N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide

C17H26N2O3S2 — CID 46224659

IUPACN-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCSC2)c1
InChIInChI=1S/C17H26N2O3S2/c1-6-17(4,5)16(20)18-14-9-12(2)13(3)15(10-14)24(21,22)19-7-8-23-11-19/h9-10H,6-8,11H2,1-5H3,(H,18,20)
InChIKeyUAKWVTSOSZTVCH-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.37
Rot. Bonds5

About N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide

N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide (PubChem CID 46224659) has the molecular formula C17H26N2O3S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide
PubChem CID46224659
Molecular FormulaC17H26N2O3S2
Molecular Weight370.54 g/mol
Exact Mass370.14
IUPAC NameN-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCSC2)c1
InChIInChI=1S/C17H26N2O3S2/c1-6-17(4,5)16(20)18-14-9-12(2)13(3)15(10-14)24(21,22)19-7-8-23-11-19/h9-10H,6-8,11H2,1-5H3,(H,18,20)
InChIKeyUAKWVTSOSZTVCH-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-amino-2-methylbutanoyl)amino]-2,3-dimethylbenzoic acid
CID 79810891
3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline
CID 107328597
5-chloro-2-methyl-3-thiomorpholin-4-ylsulfonylbenzoic acid
CID 82883111
3,4-dimethyl-5-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61419116
2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 56921230
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
5-[(2-amino-2-methylpentanoyl)amino]-2,3-dimethylbenzoic acid
CID 63020011
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-bromo-3,3,3-trifluoro-2-(trifluoromethyl)-N-(3,4,5-trimethylphenyl)propanamide
CID 71672512
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3,4-dimethyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
CID 162727771
2-methyl-2-(1-methylcyclohexyl)-N-(3,4,5-trimethylphenyl)propanamide
CID 171793105
2,2-dimethyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 59806865

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide (CID 46224659) is N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCSC2)c1.
What is the InChIKey of N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide?
The InChIKey is UAKWVTSOSZTVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S2/c1-6-17(4,5)16(20)18-14-9-12(2)13(3)15(10-14)24(21,22)19-7-8-23-11-19/h9-10H,6-8,11H2,1-5H3,(H,18,20).
What are the key properties of N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide?
N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide has a molecular weight of 370.54 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dimethyl-5-(1,3-thiazolidin-3-ylsulfonyl)phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 46224659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).