N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide

C16H21N3O3S — CID 46592129

IUPACN-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCN(C)C(CNC(=O)CCNC(=O)c1ccco1)c1ccsc1
InChIInChI=1S/C16H21N3O3S/c1-19(2)13(12-6-9-23-11-12)10-18-15(20)5-7-17-16(21)14-4-3-8-22-14/h3-4,6,8-9,11,13H,5,7,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyFXYQMPUIMKRCEL-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.88
Rot. Bonds8

About N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 46592129) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID46592129
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESCN(C)C(CNC(=O)CCNC(=O)c1ccco1)c1ccsc1
InChIInChI=1S/C16H21N3O3S/c1-19(2)13(12-6-9-23-11-12)10-18-15(20)5-7-17-16(21)14-4-3-8-22-14/h3-4,6,8-9,11,13H,5,7,10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyFXYQMPUIMKRCEL-UHFFFAOYSA-N
XLogP1.88
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(2-fluorophenyl)acetamide
CID 32631324
(2S)-3-[3-(furan-2-carbonylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107833526
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,3-diphenylpropanamide
CID 32631467
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]furan-2-carboxamide
CID 7496015
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 42958354
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)furan-2-carboxamide
CID 16931568
2-[4-(difluoromethoxy)phenyl]-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32632483

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 46592129) is N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide is CN(C)C(CNC(=O)CCNC(=O)c1ccco1)c1ccsc1.
What is the InChIKey of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is FXYQMPUIMKRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-19(2)13(12-6-9-23-11-12)10-18-15(20)5-7-17-16(21)14-4-3-8-22-14/h3-4,6,8-9,11,13H,5,7,10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 46592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).