N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide

C14H16N2O3S — CID 1245035

IUPACN-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C14H16N2O3S/c1-3-4-9-7-11(12(15)17)14(20-9)16-13(18)10-5-6-19-8(10)2/h5-7H,3-4H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCKJLLUXMXMSKGF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.95
Rot. Bonds5

About N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide

N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 1245035) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide
PubChem CID1245035
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide
SMILESCCCc1cc(C(N)=O)c(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C14H16N2O3S/c1-3-4-9-7-11(12(15)17)14(20-9)16-13(18)10-5-6-19-8(10)2/h5-7H,3-4H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyCKJLLUXMXMSKGF-UHFFFAOYSA-N
XLogP2.95
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-5-propylthiophene-3-carboxamide
CID 91098871
2-acetamido-5-propylthiophene-3-carboxamide
CID 1246587
(1R,6R)-6-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27519842
ethyl 4,5-dimethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 737612
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
(1S,2R,3R,4S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98299959
(1S,2R,3S,4R)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51706145
(2S,3R)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27519826
(2S,3S)-3-[(3-carbamoyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27519828
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-methylfuran-3-carboxamide
CID 1245726

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide (CID 1245035) is N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide is CCCc1cc(C(N)=O)c(NC(=O)c2ccoc2C)s1.
What is the InChIKey of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is CKJLLUXMXMSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-4-9-7-11(12(15)17)14(20-9)16-13(18)10-5-6-19-8(10)2/h5-7H,3-4H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide?
N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-propylthiophen-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1245035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).