2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide

C10H15BrN2O3S2 — CID 61073569

IUPAC2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H15BrN2O3S2/c1-3-5-12-9(14)7-13(2)18(15,16)10-8(11)4-6-17-10/h4,6H,3,5,7H2,1-2H3,(H,12,14)
InChIKeyUEQUZHABAAOSKP-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.66
Rot. Bonds6

About 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide

2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 61073569) has the molecular formula C10H15BrN2O3S2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID61073569
Molecular FormulaC10H15BrN2O3S2
Molecular Weight355.28 g/mol
Exact Mass353.97
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1sccc1Br
InChIInChI=1S/C10H15BrN2O3S2/c1-3-5-12-9(14)7-13(2)18(15,16)10-8(11)4-6-17-10/h4,6H,3,5,7H2,1-2H3,(H,12,14)
InChIKeyUEQUZHABAAOSKP-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61072800
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 31391904
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
3-bromo-N-(2-chloroethyl)-N-methylthiophene-2-sulfonamide
CID 63396569
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N,N-dipropylthiophene-2-sulfonamide
CID 55136537
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide
CID 47343371
4-[[(3-bromothiophen-2-yl)sulfonyl-methylamino]methyl]benzoic acid
CID 61072549
3-bromo-N-(cyclopropylmethyl)-N-methylthiophene-2-sulfonamide
CID 61067426

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide (CID 61073569) is 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is UEQUZHABAAOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3S2/c1-3-5-12-9(14)7-13(2)18(15,16)10-8(11)4-6-17-10/h4,6H,3,5,7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide?
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 355.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 61073569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).