N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C17H20N2O4S — CID 95617774

IUPACN-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1ccsc1NC(=O)c1ccco1
InChIInChI=1S/C17H20N2O4S/c1-2-19(10-12-5-8-22-11-12)17(21)13-6-9-24-16(13)18-15(20)14-4-3-7-23-14/h3-4,6-7,9,12H,2,5,8,10-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyKWNBKUNZNAEKAV-LBPRGKRZSA-N
MW348.42 g/mol
LogP3.09
Rot. Bonds6

About N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 95617774) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID95617774
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1ccsc1NC(=O)c1ccco1
InChIInChI=1S/C17H20N2O4S/c1-2-19(10-12-5-8-22-11-12)17(21)13-6-9-24-16(13)18-15(20)14-4-3-7-23-14/h3-4,6-7,9,12H,2,5,8,10-11H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyKWNBKUNZNAEKAV-LBPRGKRZSA-N
XLogP3.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[ethyl(oxolan-3-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51090912
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119646754
N-ethyl-6-(furan-2-yl)-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-3-carboxamide
CID 95296137
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119628741
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
N-[3-[[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 109382309
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119485706
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
N-[(6S)-3-(diethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 1002857
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 95617774) is N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is CCN(C[C@@H]1CCOC1)C(=O)c1ccsc1NC(=O)c1ccco1.
What is the InChIKey of N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is KWNBKUNZNAEKAV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-19(10-12-5-8-22-11-12)17(21)13-6-9-24-16(13)18-15(20)14-4-3-7-23-14/h3-4,6-7,9,12H,2,5,8,10-11H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-[[(3S)-oxolan-3-yl]methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 95617774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).