N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide

C20H28N2O3S — CID 118304329

IUPACN-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(C2CC2NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C20H28N2O3S/c23-20(22-16-6-1-2-7-16)15-5-3-4-14(12-15)18-13-19(18)21-17-8-10-26(24,25)11-9-17/h3-5,12,16-19,21H,1-2,6-11,13H2,(H,22,23)
InChIKeyAQOLVVOAOMFSNS-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.38
Rot. Bonds5

About N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide

N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide (PubChem CID 118304329) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide
PubChem CID118304329
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(C2CC2NC2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C20H28N2O3S/c23-20(22-16-6-1-2-7-16)15-5-3-4-14(12-15)18-13-19(18)21-17-8-10-26(24,25)11-9-17/h3-5,12,16-19,21H,1-2,6-11,13H2,(H,22,23)
InChIKeyAQOLVVOAOMFSNS-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide (CID 118304329) is N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide is O=C(NC1CCCC1)c1cccc(C2CC2NC2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide?
The InChIKey is AQOLVVOAOMFSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-20(22-16-6-1-2-7-16)15-5-3-4-14(12-15)18-13-19(18)21-17-8-10-26(24,25)11-9-17/h3-5,12,16-19,21H,1-2,6-11,13H2,(H,22,23).
What are the key properties of N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide?
N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide has a molecular weight of 376.52 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-[(1,1-dioxothian-4-yl)amino]cyclopropyl]benzamide is sourced from PubChem (CID 118304329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).