N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide

C12H16N2O5S — CID 51981184

IUPACN-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O5S/c15-11(14-9-4-7-20(17,18)8-9)3-5-13-12(16)10-2-1-6-19-10/h1-2,6,9H,3-5,7-8H2,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyACQCROMPDLXKSN-SECBINFHSA-N
MW300.34 g/mol
LogP-0.30
Rot. Bonds5

About N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 51981184) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID51981184
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC NameN-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H16N2O5S/c15-11(14-9-4-7-20(17,18)8-9)3-5-13-12(16)10-2-1-6-19-10/h1-2,6,9H,3-5,7-8H2,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKeyACQCROMPDLXKSN-SECBINFHSA-N
XLogP-0.30
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide
CID 17471003
N-(1,1-dioxothietan-3-yl)furan-2-carboxamide
CID 130935311
1-benzyl-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]pyrazole-4-carboxamide
CID 47031666
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanamide
CID 51949005
N-[3-[2-(cyclopropylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 9451738
N-[3-[[2-(aminomethyl)cyclopentyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 119601214
N-(1,1-dioxothiolan-3-yl)-3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanamide
CID 47056370
N-(1,1-dioxothiolan-3-yl)-3-[[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111198625

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide (CID 51981184) is N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is ACQCROMPDLXKSN-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O5S/c15-11(14-9-4-7-20(17,18)8-9)3-5-13-12(16)10-2-1-6-19-10/h1-2,6,9H,3-5,7-8H2,(H,13,16)(H,14,15)/t9-/m1/s1.
What are the key properties of N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 51981184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).