3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide

C12H13BrN2O3S3 — CID 4194172

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)NCc1cccs1
InChIInChI=1S/C12H13BrN2O3S3/c13-10-3-4-12(20-10)21(17,18)15-6-5-11(16)14-8-9-2-1-7-19-9/h1-4,7,15H,5-6,8H2,(H,14,16)
InChIKeyXANRGCNFDJDBDX-UHFFFAOYSA-N
MW409.35 g/mol
LogP2.56
Rot. Bonds7

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 4194172) has the molecular formula C12H13BrN2O3S3 and a molecular weight of 409.35 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID4194172
Molecular FormulaC12H13BrN2O3S3
Molecular Weight409.35 g/mol
Exact Mass407.93
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)NCc1cccs1
InChIInChI=1S/C12H13BrN2O3S3/c13-10-3-4-12(20-10)21(17,18)15-6-5-11(16)14-8-9-2-1-7-19-9/h1-4,7,15H,5-6,8H2,(H,14,16)
InChIKeyXANRGCNFDJDBDX-UHFFFAOYSA-N
XLogP2.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(methanesulfonamido)-N-(thiophen-2-ylmethyl)propanamide
CID 47028254
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
N-[(5-bromothiophen-2-yl)methyl]-4-thiophen-2-ylbutanamide
CID 32774203
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
3-acetamido-N-(thiophen-2-ylmethyl)propanamide
CID 47099194
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]acetamide
CID 6621397
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide (CID 4194172) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)s1)NCc1cccs1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is XANRGCNFDJDBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S3/c13-10-3-4-12(20-10)21(17,18)15-6-5-11(16)14-8-9-2-1-7-19-9/h1-4,7,15H,5-6,8H2,(H,14,16).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 409.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 4194172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).