2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide

C19H30BrN3O4S — CID 44565376

IUPAC2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
SMILESCC(C)CNC(=O)CCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC(C)C
InChIInChI=1S/C19H30BrN3O4S/c1-13(2)11-21-18(24)10-9-17(19(25)22-12-14(3)4)23-28(26,27)16-7-5-15(20)6-8-16/h5-8,13-14,17,23H,9-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDQFYHIKZUAWBIT-UHFFFAOYSA-N
MW476.44 g/mol
LogP2.42
Rot. Bonds11

About 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide

2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide (PubChem CID 44565376) has the molecular formula C19H30BrN3O4S and a molecular weight of 476.44 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
PubChem CID44565376
Molecular FormulaC19H30BrN3O4S
Molecular Weight476.44 g/mol
Exact Mass475.11
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide
SMILESCC(C)CNC(=O)CCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC(C)C
InChIInChI=1S/C19H30BrN3O4S/c1-13(2)11-21-18(24)10-9-17(19(25)22-12-14(3)4)23-28(26,27)16-7-5-15(20)6-8-16/h5-8,13-14,17,23H,9-12H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDQFYHIKZUAWBIT-UHFFFAOYSA-N
XLogP2.42
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide (CID 44565376) is 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide is CC(C)CNC(=O)CCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC(C)C.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
The InChIKey is DQFYHIKZUAWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrN3O4S/c1-13(2)11-21-18(24)10-9-17(19(25)22-12-14(3)4)23-28(26,27)16-7-5-15(20)6-8-16/h5-8,13-14,17,23H,9-12H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide?
2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide has a molecular weight of 476.44 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N,N'-bis(2-methylpropyl)pentanediamide is sourced from PubChem (CID 44565376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).