N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide

C15H20N2O3S — CID 43511624

IUPACN-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)CC2)cc1)C1CC1
InChIInChI=1S/C15H20N2O3S/c18-15(11-1-2-11)17-13-5-3-12(4-6-13)16-14-7-9-21(19,20)10-8-14/h3-6,11,14,16H,1-2,7-10H2,(H,17,18)
InChIKeyXYBZTQYKWRCATI-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.02
Rot. Bonds4

About N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide

N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 43511624) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide
PubChem CID43511624
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NC2CCS(=O)(=O)CC2)cc1)C1CC1
InChIInChI=1S/C15H20N2O3S/c18-15(11-1-2-11)17-13-5-3-12(4-6-13)16-14-7-9-21(19,20)10-8-14/h3-6,11,14,16H,1-2,7-10H2,(H,17,18)
InChIKeyXYBZTQYKWRCATI-UHFFFAOYSA-N
XLogP2.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
N-[4-[(4-methylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 28660300
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-[4-[(3-methylcyclobutyl)amino]phenyl]cyclopropanecarboxamide
CID 104860025
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-ethylphenyl)-1,1-dioxothian-4-amine
CID 43511548
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-(1,3-benzodioxol-5-yl)-1,1-dioxothiane-4-carboxamide
CID 110863226
N-[4-[(1,5-dimethylpyrrolidin-3-yl)amino]phenyl]cyclopropanecarboxamide
CID 81466509
2-[4-[(1,1-dioxothian-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720805

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide (CID 43511624) is N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NC2CCS(=O)(=O)CC2)cc1)C1CC1.
What is the InChIKey of N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is XYBZTQYKWRCATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-15(11-1-2-11)17-13-5-3-12(4-6-13)16-14-7-9-21(19,20)10-8-14/h3-6,11,14,16H,1-2,7-10H2,(H,17,18).
What are the key properties of N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxothian-4-yl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43511624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).