3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide

C13H19BrN2O3S2 — CID 5240506

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CCCCC1
InChIInChI=1S/C13H19BrN2O3S2/c14-11-6-7-13(20-11)21(18,19)15-9-8-12(17)16-10-4-2-1-3-5-10/h6-7,10,15H,1-5,8-9H2,(H,16,17)
InChIKeyDNCYEFQZVCBIIU-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.63
Rot. Bonds6

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide (PubChem CID 5240506) has the molecular formula C13H19BrN2O3S2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
PubChem CID5240506
Molecular FormulaC13H19BrN2O3S2
Molecular Weight395.34 g/mol
Exact Mass394.00
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CCCCC1
InChIInChI=1S/C13H19BrN2O3S2/c14-11-6-7-13(20-11)21(18,19)15-9-8-12(17)16-10-4-2-1-3-5-10/h6-7,10,15H,1-5,8-9H2,(H,16,17)
InChIKeyDNCYEFQZVCBIIU-UHFFFAOYSA-N
XLogP2.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylacetamide
CID 15992302
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
CID 61060598
5-bromo-N-(2-cyclohexylethyl)thiophene-2-sulfonamide
CID 55026778
3-(benzenesulfonamido)-N-cyclohexylpropanamide
CID 17225810
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
CID 106271482
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 3245023
3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
5-bromo-N-cyclooctylthiophene-2-sulfonamide
CID 19681116
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383
N-cyclopentyl-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 112990935
3-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-cyclohexylpropanamide
CID 55914836
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 4194172

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide (CID 5240506) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide is O=C(CCNS(=O)(=O)c1ccc(Br)s1)NC1CCCCC1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide?
The InChIKey is DNCYEFQZVCBIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S2/c14-11-6-7-13(20-11)21(18,19)15-9-8-12(17)16-10-4-2-1-3-5-10/h6-7,10,15H,1-5,8-9H2,(H,16,17).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide has a molecular weight of 395.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 5240506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).