N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

C22H27F2N5O3S — CID 55495982

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C22H27F2N5O3S/c1-3-28(4-2)13-14-29-20-8-6-5-7-19(20)26-22(29)27-21(30)11-12-25-33(31,32)16-9-10-17(23)18(24)15-16/h5-10,15,25H,3-4,11-14H2,1-2H3,(H,26,27,30)
InChIKeyIZOHLNGWPKAXJP-UHFFFAOYSA-N
MW479.55 g/mol
LogP2.96
Rot. Bonds11

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 55495982) has the molecular formula C22H27F2N5O3S and a molecular weight of 479.55 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID55495982
Molecular FormulaC22H27F2N5O3S
Molecular Weight479.55 g/mol
Exact Mass479.18
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C22H27F2N5O3S/c1-3-28(4-2)13-14-29-20-8-6-5-7-19(20)26-22(29)27-21(30)11-12-25-33(31,32)16-9-10-17(23)18(24)15-16/h5-10,15,25H,3-4,11-14H2,1-2H3,(H,26,27,30)
InChIKeyIZOHLNGWPKAXJP-UHFFFAOYSA-N
XLogP2.96
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.55
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 55495982) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is CCN(CC)CCn1c(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is IZOHLNGWPKAXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N5O3S/c1-3-28(4-2)13-14-29-20-8-6-5-7-19(20)26-22(29)27-21(30)11-12-25-33(31,32)16-9-10-17(23)18(24)15-16/h5-10,15,25H,3-4,11-14H2,1-2H3,(H,26,27,30).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 479.55 g/mol, XLogP of 2.96, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55495982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).