N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

C23H20N2O3S2 — CID 649429

IUPACN-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCc1ccco1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C23H20N2O3S2/c26-21(15-19-10-5-13-29-19)25(17-7-2-1-3-8-17)22(20-11-6-14-30-20)23(27)24-16-18-9-4-12-28-18/h1-14,22H,15-16H2,(H,24,27)
InChIKeyREWAFBPOGSWLDC-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.04
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide

N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 649429) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID649429
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC NameN-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESO=C(NCc1ccco1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1
InChIInChI=1S/C23H20N2O3S2/c26-21(15-19-10-5-13-29-19)25(17-7-2-1-3-8-17)22(20-11-6-14-30-20)23(27)24-16-18-9-4-12-28-18/h1-14,22H,15-16H2,(H,24,27)
InChIKeyREWAFBPOGSWLDC-UHFFFAOYSA-N
XLogP5.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxylic acid [3-methyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-phenyl-amide
CID 13653720
N-[(1Z)-3-[(2-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1591814
N-[(1Z)-3-[(4-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1597340
N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
(2E)-N-(3-fluorophenyl)-3-(2-furyl)-2-(2-thienylcarbonylamino)prop-2-enamide
CID 2191511
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765
N-{4-[(thiophen-2-ylacetyl)amino]phenyl}furan-2-carboxamide
CID 653038
Furan-2-carboxylic acid (cyclohexylcarbamoyl-thiophen-2-yl-methyl)-thiophen-2-ylmethyl-amide
CID 654363
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-2-(3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-thiophen-2-ylmethyl-acetamide
CID 654783
N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 666545
N-(furan-2-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 666723

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 649429) is N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is O=C(NCc1ccco1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is REWAFBPOGSWLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c26-21(15-19-10-5-13-29-19)25(17-7-2-1-3-8-17)22(20-11-6-14-30-20)23(27)24-16-18-9-4-12-28-18/h1-14,22H,15-16H2,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 436.56 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 649429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).