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

C15H17BrN2O3S2 — CID 15998738

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O3S2/c1-11-2-4-12(5-3-11)10-17-14(19)8-9-18-23(20,21)15-7-6-13(16)22-15/h2-7,18H,8-10H2,1H3,(H,17,19)
InChIKeyYTFVVCXHVRAAIB-UHFFFAOYSA-N
MW417.35 g/mol
LogP2.80
Rot. Bonds7

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

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 15998738) has the molecular formula C15H17BrN2O3S2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID15998738
Molecular FormulaC15H17BrN2O3S2
Molecular Weight417.35 g/mol
Exact Mass415.99
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C15H17BrN2O3S2/c1-11-2-4-12(5-3-11)10-17-14(19)8-9-18-23(20,21)15-7-6-13(16)22-15/h2-7,18H,8-10H2,1H3,(H,17,19)
InChIKeyYTFVVCXHVRAAIB-UHFFFAOYSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 15998738) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is YTFVVCXHVRAAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S2/c1-11-2-4-12(5-3-11)10-17-14(19)8-9-18-23(20,21)15-7-6-13(16)22-15/h2-7,18H,8-10H2,1H3,(H,17,19).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 417.35 g/mol, XLogP of 2.80, 7 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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 15998738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).