3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide

C14H14BrNO3S2 — CID 3240858

IUPAC3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1
InChIInChI=1S/C14H14BrNO3S2/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
InChIKeyPGBJDOCJZGEQEM-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.99
Rot. Bonds6

About 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide

3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 3240858) has the molecular formula C14H14BrNO3S2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID3240858
Molecular FormulaC14H14BrNO3S2
Molecular Weight388.31 g/mol
Exact Mass386.96
IUPAC Name3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1
InChIInChI=1S/C14H14BrNO3S2/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
InChIKeyPGBJDOCJZGEQEM-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothien-2-yl)sulfonyl]-N-(thien-2-ylmethyl)propanamide
CID 3242944
3-(4-bromophenyl)sulfonyl-N-cyclopentylpropanamide
CID 4576617
N~1~-benzyl-N~3~-[(5-bromothien-2-yl)sulfonyl]-beta-alaninamide
CID 16194060
3-[(5-bromo-2-thienyl)sulfonyl]-N-(4-methylbenzyl)propanamide
CID 6621348
N-benzyl-3-(5-bromothiophen-2-yl)sulfonylpropanamide
CID 9551131
2-[(3-bromophenyl)sulfonyl-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4785899
2-(4-bromophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4297705
3-[(4-bromophenyl)sulfonylamino]-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 25161617
3-(5-bromothiophen-2-yl)sulfonyl-N-[(4-fluorophenyl)methyl]propanamide
CID 22427341
3-(4-Bromobenzenesulfonamido)-N-[(thiophen-2-YL)methyl]propanamide
CID 4299275
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 4194172
3-(phenylsulfonyl)-N-(thiophen-3-ylmethyl)propanamide
CID 45559715

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide (CID 3240858) is 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PGBJDOCJZGEQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S2/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide?
3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 388.31 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 3240858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).