N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C16H21N3O3S — CID 51163296

IUPACN-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C16H21N3O3S/c1-11(18-16(21)13-6-4-8-22-13)15(20)17-10-12(19(2)3)14-7-5-9-23-14/h4-9,11-12H,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCOUVGGZSZHWKDY-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.88
Rot. Bonds7

About N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 51163296) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID51163296
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C16H21N3O3S/c1-11(18-16(21)13-6-4-8-22-13)15(20)17-10-12(19(2)3)14-7-5-9-23-14/h4-9,11-12H,10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyCOUVGGZSZHWKDY-UHFFFAOYSA-N
XLogP1.88
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Analyze N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
N-[1-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47112949
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374
N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47126244
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119384373
(2S)-2-(carbamoylamino)-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropanamide
CID 7874184
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 119528888
N-[1-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 119526649
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94017330
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119407621
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 51163296) is N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is COUVGGZSZHWKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11(18-16(21)13-6-4-8-22-13)15(20)17-10-12(19(2)3)14-7-5-9-23-14/h4-9,11-12H,10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51163296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).