3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide

C15H17BrN2O4S2 — CID 24793646

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-22-12-4-2-11(3-5-12)10-17-14(19)8-9-18-24(20,21)15-7-6-13(16)23-15/h2-7,18H,8-10H2,1H3,(H,17,19)
InChIKeyAUGSMJBZEFFSDR-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.50
Rot. Bonds8

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 24793646) has the molecular formula C15H17BrN2O4S2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID24793646
Molecular FormulaC15H17BrN2O4S2
Molecular Weight433.35 g/mol
Exact Mass431.98
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O4S2/c1-22-12-4-2-11(3-5-12)10-17-14(19)8-9-18-24(20,21)15-7-6-13(16)23-15/h2-7,18H,8-10H2,1H3,(H,17,19)
InChIKeyAUGSMJBZEFFSDR-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.50
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-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 24793646) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is AUGSMJBZEFFSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O4S2/c1-22-12-4-2-11(3-5-12)10-17-14(19)8-9-18-24(20,21)15-7-6-13(16)23-15/h2-7,18H,8-10H2,1H3,(H,17,19).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 433.35 g/mol, XLogP of 2.50, 8 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-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 24793646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).