N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C18H25N3O2S2 — CID 43060758

IUPACN-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C18H25N3O2S2/c1-12(2)16(20-17(22)15-6-5-8-25-15)18(23)19-10-14(21(3)4)13-7-9-24-11-13/h5-9,11-12,14,16H,10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyQXSPIUXSXIFDBR-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.98
Rot. Bonds8

About N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 43060758) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID43060758
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC NameN-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)NCC(c1ccsc1)N(C)C
InChIInChI=1S/C18H25N3O2S2/c1-12(2)16(20-17(22)15-6-5-8-25-15)18(23)19-10-14(21(3)4)13-7-9-24-11-13/h5-9,11-12,14,16H,10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyQXSPIUXSXIFDBR-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
N-[1-(2-aminoethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119384385
N-[1-[(4-hydroxy-2-methylpentyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 111447667
N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 119432694
N-[1-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46522928
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2S)-3-methyl-1-[3-(N-methylanilino)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 52524654
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
N-[(2R)-1-[methoxy(methyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 39964677
N-[1-[1-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 134049210
N-[1-[[4-(ethoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42955486
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 43060758) is N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)NCC(c1ccsc1)N(C)C.
What is the InChIKey of N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is QXSPIUXSXIFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-12(2)16(20-17(22)15-6-5-8-25-15)18(23)19-10-14(21(3)4)13-7-9-24-11-13/h5-9,11-12,14,16H,10H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 2.98, 8 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-3-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 43060758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).