N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

C23H34N2O4S — CID 20859676

IUPACN-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN(CC(C)C)CC(C)C)o1
InChIInChI=1S/C23H34N2O4S/c1-17(2)14-25(15-18(3)4)13-12-24-23(26)21-11-10-20(29-21)16-30(27,28)22-9-7-6-8-19(22)5/h6-11,17-18H,12-16H2,1-5H3,(H,24,26)
InChIKeyCOOJADUXYGETDS-UHFFFAOYSA-N
MW434.60 g/mol
LogP3.91
Rot. Bonds11

About N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide

N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (PubChem CID 20859676) has the molecular formula C23H34N2O4S and a molecular weight of 434.60 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
PubChem CID20859676
Molecular FormulaC23H34N2O4S
Molecular Weight434.60 g/mol
Exact Mass434.22
IUPAC NameN-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide
SMILESCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN(CC(C)C)CC(C)C)o1
InChIInChI=1S/C23H34N2O4S/c1-17(2)14-25(15-18(3)4)13-12-24-23(26)21-11-10-20(29-21)16-30(27,28)22-9-7-6-8-19(22)5/h6-11,17-18H,12-16H2,1-5H3,(H,24,26)
InChIKeyCOOJADUXYGETDS-UHFFFAOYSA-N
XLogP3.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide (CID 20859676) is N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN(CC(C)C)CC(C)C)o1.
What is the InChIKey of N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
The InChIKey is COOJADUXYGETDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4S/c1-17(2)14-25(15-18(3)4)13-12-24-23(26)21-11-10-20(29-21)16-30(27,28)22-9-7-6-8-19(22)5/h6-11,17-18H,12-16H2,1-5H3,(H,24,26).
What are the key properties of N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide?
N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide has a molecular weight of 434.60 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)amino]ethyl]-5-[(2-methylphenyl)sulfonylmethyl]furan-2-carboxamide is sourced from PubChem (CID 20859676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).