N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

C23H29N3O3S — CID 8678198

IUPACN-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29N3O3S/c27-21(15-26(13-19-3-1-5-29-19)14-20-4-2-6-30-20)24-22(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-6,16-18H,7-15H2,(H2,24,25,27,28)
InChIKeyQYHBMGTUPQULQX-UHFFFAOYSA-N
MW427.57 g/mol
LogP4.14
Rot. Bonds7

About N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8678198) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8678198
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)Cc1cccs1)NC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29N3O3S/c27-21(15-26(13-19-3-1-5-29-19)14-20-4-2-6-30-20)24-22(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-6,16-18H,7-15H2,(H2,24,25,27,28)
InChIKeyQYHBMGTUPQULQX-UHFFFAOYSA-N
XLogP4.14
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8678412
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
(2S)-N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(methyl)amino]propanamide
CID 9348849
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677595
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 17426015
N-[(4-chlorophenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677619
N-cyclopentyl-2-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzamide
CID 17449333
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 6624810
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 26513187
N-(4,5-dimethyl-2-nitrophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677960
(5S,7R)-3-chloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 26355464

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (CID 8678198) is N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is O=C(CN(Cc1ccco1)Cc1cccs1)NC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is QYHBMGTUPQULQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-21(15-26(13-19-3-1-5-29-19)14-20-4-2-6-30-20)24-22(28)25-23-10-16-7-17(11-23)9-18(8-16)12-23/h1-6,16-18H,7-15H2,(H2,24,25,27,28).
What are the key properties of N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 427.57 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylcarbamoyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8678198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).