N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C14H15BrN2O3S2 — CID 4824237

IUPACN-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S2/c1-10-8-11(5-6-12(10)15)16-13(18)9-17(2)22(19,20)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyCEWCMCGZEBKHQU-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.08
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 4824237) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID4824237
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)ccc1Br
InChIInChI=1S/C14H15BrN2O3S2/c1-10-8-11(5-6-12(10)15)16-13(18)9-17(2)22(19,20)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyCEWCMCGZEBKHQU-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(4-bromo-3-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545387
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
N-methyl-4-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]benzamide
CID 9429046
N-(9-ethylcarbazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30271978
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 39215800
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
N-(2,5-dichlorophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 30268370
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16559091

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 4824237) is N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2cccs2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is CEWCMCGZEBKHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-10-8-11(5-6-12(10)15)16-13(18)9-17(2)22(19,20)14-4-3-7-21-14/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 403.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 4824237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).