3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

C16H22N2O2S — CID 62839379

IUPAC3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCNC(C)CC(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C16H22N2O2S/c1-3-17-13(2)10-16(19)18(11-14-6-4-8-20-14)12-15-7-5-9-21-15/h4-9,13,17H,3,10-12H2,1-2H3
InChIKeyFQMHDTQUZZHLLB-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.26
Rot. Bonds8

About 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 62839379) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID62839379
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCCNC(C)CC(=O)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C16H22N2O2S/c1-3-17-13(2)10-16(19)18(11-14-6-4-8-20-14)12-15-7-5-9-21-15/h4-9,13,17H,3,10-12H2,1-2H3
InChIKeyFQMHDTQUZZHLLB-UHFFFAOYSA-N
XLogP3.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-2-(prop-2-ynylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 78915175
2-amino-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869064
2-bromo-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55125927
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
(2R)-2-amino-N-(furan-2-ylmethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 104903002
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
N-(furan-2-ylmethyl)-4-(propan-2-yloxymethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 8894977
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 62839379) is 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is CCNC(C)CC(=O)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is FQMHDTQUZZHLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-17-13(2)10-16(19)18(11-14-6-4-8-20-14)12-15-7-5-9-21-15/h4-9,13,17H,3,10-12H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 306.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 62839379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).