3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

C19H24BrN3O4S2 — CID 42909047

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H24BrN3O4S2/c20-15-3-5-16(6-4-15)29(25,26)22-8-7-19(24)21-14-17(18-2-1-13-28-18)23-9-11-27-12-10-23/h1-6,13,17,22H,7-12,14H2,(H,21,24)
InChIKeyIUUZYSKEVBOQAJ-UHFFFAOYSA-N
MW502.46 g/mol
LogP2.37
Rot. Bonds9

About 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 42909047) has the molecular formula C19H24BrN3O4S2 and a molecular weight of 502.46 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID42909047
Molecular FormulaC19H24BrN3O4S2
Molecular Weight502.46 g/mol
Exact Mass501.04
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H24BrN3O4S2/c20-15-3-5-16(6-4-15)29(25,26)22-8-7-19(24)21-14-17(18-2-1-13-28-18)23-9-11-27-12-10-23/h1-6,13,17,22H,7-12,14H2,(H,21,24)
InChIKeyIUUZYSKEVBOQAJ-UHFFFAOYSA-N
XLogP2.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (CID 42909047) is 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is IUUZYSKEVBOQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O4S2/c20-15-3-5-16(6-4-15)29(25,26)22-8-7-19(24)21-14-17(18-2-1-13-28-18)23-9-11-27-12-10-23/h1-6,13,17,22H,7-12,14H2,(H,21,24).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 502.46 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 42909047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).