2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide

C15H17BrN2O3S2 — CID 22430639

IUPAC2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C15H17BrN2O3S2/c1-11(12-6-4-3-5-7-12)17-14(19)10-18(2)23(20,21)15-9-8-13(16)22-15/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyVRPAYRYDRPBXDG-UHFFFAOYSA-N
MW417.35 g/mol
LogP3.01
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide

2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 22430639) has the molecular formula C15H17BrN2O3S2 and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID22430639
Molecular FormulaC15H17BrN2O3S2
Molecular Weight417.35 g/mol
Exact Mass415.99
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1)c1ccccc1
InChIInChI=1S/C15H17BrN2O3S2/c1-11(12-6-4-3-5-7-12)17-14(19)10-18(2)23(20,21)15-9-8-13(16)22-15/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyVRPAYRYDRPBXDG-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 53.01
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-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide (CID 22430639) is 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)S(=O)(=O)c1ccc(Br)s1)c1ccccc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is VRPAYRYDRPBXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3S2/c1-11(12-6-4-3-5-7-12)17-14(19)10-18(2)23(20,21)15-9-8-13(16)22-15/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 417.35 g/mol, XLogP of 3.01, 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 22430639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).