N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

C16H21NO2S — CID 71804056

IUPACN-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C16H21NO2S/c1-16(2,3)9-15(18)17(10-13-6-7-19-12-13)11-14-5-4-8-20-14/h4-8,12H,9-11H2,1-3H3
InChIKeyNXODEBOORIKQEX-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.31
Rot. Bonds5

About N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 71804056) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID71804056
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC NameN-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)N(Cc1ccoc1)Cc1cccs1
InChIInChI=1S/C16H21NO2S/c1-16(2,3)9-15(18)17(10-13-6-7-19-12-13)11-14-5-4-8-20-14/h4-8,12H,9-11H2,1-3H3
InChIKeyNXODEBOORIKQEX-UHFFFAOYSA-N
XLogP4.31
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide 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

1-(furan-3-ylmethyl)-1,3-bis(thiophen-2-ylmethyl)urea
CID 90583109
2-chloro-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 71804069
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
2-(2-fluorophenoxy)-N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 71804082
(E)-N-(furan-3-ylmethyl)-3-thiophen-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 71804105
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-propan-2-ylbutanamide
CID 4172240
N-(furan-3-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 90582947
3-(1,3-benzodioxol-5-yl)-1-(furan-3-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 71804140
N-(furan-3-ylmethyl)-3,4-dimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90583211
3-(benzenesulfonyl)-N-(furan-3-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 90583258
N-(furan-3-ylmethyl)-N-methylthiophene-2-carboxamide
CID 61151068
tert-butyl N-[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl]carbamate
CID 67704750

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 71804056) is N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is CC(C)(C)CC(=O)N(Cc1ccoc1)Cc1cccs1.
What is the InChIKey of N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is NXODEBOORIKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-16(2,3)9-15(18)17(10-13-6-7-19-12-13)11-14-5-4-8-20-14/h4-8,12H,9-11H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 291.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 71804056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).