2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

C14H14BrFN2O3S2 — CID 15996742

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrFN2O3S2/c1-18(23(20,21)14-7-6-12(15)22-14)9-13(19)17-8-10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyUBBDHWDCILYBQB-UHFFFAOYSA-N
MW421.31 g/mol
LogP2.59
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 15996742) has the molecular formula C14H14BrFN2O3S2 and a molecular weight of 421.31 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID15996742
Molecular FormulaC14H14BrFN2O3S2
Molecular Weight421.31 g/mol
Exact Mass419.96
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrFN2O3S2/c1-18(23(20,21)14-7-6-12(15)22-14)9-13(19)17-8-10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyUBBDHWDCILYBQB-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 15996742) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is UBBDHWDCILYBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O3S2/c1-18(23(20,21)14-7-6-12(15)22-14)9-13(19)17-8-10-2-4-11(16)5-3-10/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 421.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 15996742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).