N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide

C13H19NO4S — CID 18573626

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H19NO4S/c1-2-3-7-14(11-6-9-19(16,17)10-11)13(15)12-5-4-8-18-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3
InChIKeyXMVLAFAPNAMHLF-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.71
Rot. Bonds5

About N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide

N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide (PubChem CID 18573626) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
PubChem CID18573626
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide
SMILESCCCCN(C(=O)c1ccco1)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H19NO4S/c1-2-3-7-14(11-6-9-19(16,17)10-11)13(15)12-5-4-8-18-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3
InChIKeyXMVLAFAPNAMHLF-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 557197
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CID 777476
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-isobutylfuran-2-carboxamide
CID 16269000
5-bromo-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylfuran-2-carboxamide
CID 18573627
N-(3-Acetylthio-2-methylpropanoyl)-N-furfurylglycine
CID 12801697
4-(Furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 318460
N-Furan-2-ylmethyl-2-{[(furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-acetamide
CID 653402
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 663691
1-(2-Furoyl)-4-(2-thienylsulfonyl)piperazine
CID 756358
N-(2-methoxyethyl)-5-[(phenylsulfonyl)methyl]-2-furamide
CID 3239466
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 3548679
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(furan-2-ylmethyl)benzamide
CID 3884308

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide (CID 18573626) is N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide is CCCCN(C(=O)c1ccco1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
The InChIKey is XMVLAFAPNAMHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-2-3-7-14(11-6-9-19(16,17)10-11)13(15)12-5-4-8-18-12/h4-5,8,11H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide has a molecular weight of 285.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 18573626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).