N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide

C17H20N2O3S — CID 75509612

IUPACN-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccco1)C1CCCC1)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c20-16(10-18-17(21)13-7-9-23-12-13)19(14-4-1-2-5-14)11-15-6-3-8-22-15/h3,6-9,12,14H,1-2,4-5,10-11H2,(H,18,21)
InChIKeyWONZIEDZLNRQNU-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 75509612) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID75509612
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC NameN-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide
SMILESO=C(NCC(=O)N(Cc1ccco1)C1CCCC1)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c20-16(10-18-17(21)13-7-9-23-12-13)19(14-4-1-2-5-14)11-15-6-3-8-22-15/h3,6-9,12,14H,1-2,4-5,10-11H2,(H,18,21)
InChIKeyWONZIEDZLNRQNU-UHFFFAOYSA-N
XLogP3.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592
N-cyclopentyl-N-(furan-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86926787
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
(2S)-2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82963604
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432
N-cyclopentyl-2,2-difluoro-N-(furan-2-ylmethyl)acetamide
CID 103514769
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
N-cyclopentyl-4-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)benzamide
CID 86926762

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide (CID 75509612) is N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide is O=C(NCC(=O)N(Cc1ccco1)C1CCCC1)c1ccsc1.
What is the InChIKey of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is WONZIEDZLNRQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-16(10-18-17(21)13-7-9-23-12-13)19(14-4-1-2-5-14)11-15-6-3-8-22-15/h3,6-9,12,14H,1-2,4-5,10-11H2,(H,18,21).
What are the key properties of N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(furan-2-ylmethyl)amino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 75509612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).