2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide

C10H15BrN2O3S2 — CID 79930666

IUPAC2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H15BrN2O3S2/c1-4-12-8(14)6-13(3)18(15,16)9-5-7(2)10(11)17-9/h5H,4,6H2,1-3H3,(H,12,14)
InChIKeyICMMVNOGNLYHAR-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.58
Rot. Bonds5

About 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide

2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide (PubChem CID 79930666) has the molecular formula C10H15BrN2O3S2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
PubChem CID79930666
Molecular FormulaC10H15BrN2O3S2
Molecular Weight355.28 g/mol
Exact Mass353.97
IUPAC Name2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)S(=O)(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C10H15BrN2O3S2/c1-4-12-8(14)6-13(3)18(15,16)9-5-7(2)10(11)17-9/h5H,4,6H2,1-3H3,(H,12,14)
InChIKeyICMMVNOGNLYHAR-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2-methoxy-4,5-dimethylphenyl)sulfonyl-methylamino]acetamide
CID 27260887
2-[(2-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 47256511
5-bromo-N,4-dimethyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 79931524
5-bromo-N,N,4-trimethylthiophene-2-sulfonamide
CID 70519707
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 79923482
5-bromo-N-(3-bromopropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 106441810
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61139554
5-bromo-N-(2-chloropropyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79987976
2-[(2-amino-4-methylphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 61138984
5-bromo-N,4-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 79994649
5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 79931229

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide (CID 79930666) is 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)S(=O)(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
The InChIKey is ICMMVNOGNLYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S2/c1-4-12-8(14)6-13(3)18(15,16)9-5-7(2)10(11)17-9/h5H,4,6H2,1-3H3,(H,12,14).
What are the key properties of 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide?
2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide has a molecular weight of 355.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methylthiophen-2-yl)sulfonyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 79930666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).