N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide

C13H13BrN2O3S2 — CID 6621397

IUPACN-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccccc1
InChIInChI=1S/C13H13BrN2O3S2/c14-11-6-7-13(20-11)21(18,19)16-9-12(17)15-8-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,15,17)
InChIKeyKEEJLFVPXWFYLF-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.11
Rot. Bonds6

About N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide

N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide (PubChem CID 6621397) has the molecular formula C13H13BrN2O3S2 and a molecular weight of 389.30 g/mol. Its IUPAC name is N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
PubChem CID6621397
Molecular FormulaC13H13BrN2O3S2
Molecular Weight389.30 g/mol
Exact Mass387.96
IUPAC NameN-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccccc1
InChIInChI=1S/C13H13BrN2O3S2/c14-11-6-7-13(20-11)21(18,19)16-9-12(17)15-8-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,15,17)
InChIKeyKEEJLFVPXWFYLF-UHFFFAOYSA-N
XLogP2.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-bromothiophene-2-sulfonamide
CID 848221
N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 61053150
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(4-chlorophenyl)acetamide
CID 15999318
5-bromo-N-[(3-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 54903909
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 112992219
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)acetamide
CID 119464585
methyl 2-[[2-[(5-bromothiophen-2-yl)sulfonylamino]acetyl]amino]-2-methylpropanoate
CID 51131047
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 4194172

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide (CID 6621397) is N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is KEEJLFVPXWFYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S2/c14-11-6-7-13(20-11)21(18,19)16-9-12(17)15-8-10-4-2-1-3-5-10/h1-7,16H,8-9H2,(H,15,17).
What are the key properties of N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide?
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 389.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 6621397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).