N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C17H22N2O3S2 — CID 7685406

IUPACN-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O3S2/c1-17(2,3)13-7-9-14(10-8-13)18-15(20)12-19(4)24(21,22)16-6-5-11-23-16/h5-11H,12H2,1-4H3,(H,18,20)
InChIKeyYMOGDMNNMDKRLQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.30
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 7685406) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID7685406
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O3S2/c1-17(2,3)13-7-9-14(10-8-13)18-15(20)12-19(4)24(21,22)16-6-5-11-23-16/h5-11H,12H2,1-4H3,(H,18,20)
InChIKeyYMOGDMNNMDKRLQ-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51307237
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489697
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 39215800
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(9-ethylcarbazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30271978

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 7685406) is N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is YMOGDMNNMDKRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-17(2,3)13-7-9-14(10-8-13)18-15(20)12-19(4)24(21,22)16-6-5-11-23-16/h5-11H,12H2,1-4H3,(H,18,20).
What are the key properties of N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 366.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 7685406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).