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

C14H15BrN2O4S2 — CID 15988700

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2O4S2/c1-21-11-4-2-3-10(9-11)17-13(18)7-8-16-23(19,20)14-6-5-12(15)22-14/h2-6,9,16H,7-8H2,1H3,(H,17,18)
InChIKeyHNELXYYHJMHTBM-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.83
Rot. Bonds7

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

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide (PubChem CID 15988700) has the molecular formula C14H15BrN2O4S2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
PubChem CID15988700
Molecular FormulaC14H15BrN2O4S2
Molecular Weight419.32 g/mol
Exact Mass417.97
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C14H15BrN2O4S2/c1-21-11-4-2-3-10(9-11)17-13(18)7-8-16-23(19,20)14-6-5-12(15)22-14/h2-6,9,16H,7-8H2,1H3,(H,17,18)
InChIKeyHNELXYYHJMHTBM-UHFFFAOYSA-N
XLogP2.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide (CID 15988700) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is HNELXYYHJMHTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4S2/c1-21-11-4-2-3-10(9-11)17-13(18)7-8-16-23(19,20)14-6-5-12(15)22-14/h2-6,9,16H,7-8H2,1H3,(H,17,18).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 419.32 g/mol, XLogP of 2.83, 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-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 15988700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).