3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide

C14H15BrN2O3S2 — CID 4299275

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1
InChIInChI=1S/C14H15BrN2O3S2/c15-11-3-5-13(6-4-11)22(19,20)17-8-7-14(18)16-10-12-2-1-9-21-12/h1-6,9,17H,7-8,10H2,(H,16,18)
InChIKeyABPIITAMPHUUHQ-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.50
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 4299275) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID4299275
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1
InChIInChI=1S/C14H15BrN2O3S2/c15-11-3-5-13(6-4-11)22(19,20)17-8-7-14(18)16-10-12-2-1-9-21-12/h1-6,9,17H,7-8,10H2,(H,16,18)
InChIKeyABPIITAMPHUUHQ-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide (CID 4299275) is 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ABPIITAMPHUUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c15-11-3-5-13(6-4-11)22(19,20)17-8-7-14(18)16-10-12-2-1-9-21-12/h1-6,9,17H,7-8,10H2,(H,16,18).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 403.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 4299275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).