2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide

C15H23BrN2O3S — CID 3911095

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H23BrN2O3S/c1-11(2)18(12(3)4)15(19)10-17(5)22(20,21)14-8-6-13(16)7-9-14/h6-9,11-12H,10H2,1-5H3
InChIKeyDWSMZPBMKFGSAD-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.71
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide (PubChem CID 3911095) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide
PubChem CID3911095
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C15H23BrN2O3S/c1-11(2)18(12(3)4)15(19)10-17(5)22(20,21)14-8-6-13(16)7-9-14/h6-9,11-12H,10H2,1-5H3
InChIKeyDWSMZPBMKFGSAD-UHFFFAOYSA-N
XLogP2.71
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide (CID 3911095) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(C)C.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide?
The InChIKey is DWSMZPBMKFGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-11(2)18(12(3)4)15(19)10-17(5)22(20,21)14-8-6-13(16)7-9-14/h6-9,11-12H,10H2,1-5H3.
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide has a molecular weight of 391.33 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 3911095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).