3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide

C21H20N2O2S — CID 51968356

IUPAC3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide
SMILESO=C(CCc1ccco1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O2S/c24-21(10-9-15-5-3-11-25-15)23-14-18(20-8-4-12-26-20)17-13-22-19-7-2-1-6-16(17)19/h1-8,11-13,18,22H,9-10,14H2,(H,23,24)/t18-/m1/s1
InChIKeyLWYSJIBWSSXDQQ-GOSISDBHSA-N
MW364.47 g/mol
LogP4.70
Rot. Bonds7

About 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide

3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide (PubChem CID 51968356) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide
PubChem CID51968356
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide
SMILESO=C(CCc1ccco1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O2S/c24-21(10-9-15-5-3-11-25-15)23-14-18(20-8-4-12-26-20)17-13-22-19-7-2-1-6-16(17)19/h1-8,11-13,18,22H,9-10,14H2,(H,23,24)/t18-/m1/s1
InChIKeyLWYSJIBWSSXDQQ-GOSISDBHSA-N
XLogP4.70
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 25499108
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 27770982
N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-methylpyrimidine-4-carboxamide
CID 97191740
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55329238
N-[2-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 55370138
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55436300
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26729750

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide (CID 51968356) is 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide is O=C(CCc1ccco1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide?
The InChIKey is LWYSJIBWSSXDQQ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(10-9-15-5-3-11-25-15)23-14-18(20-8-4-12-26-20)17-13-22-19-7-2-1-6-16(17)19/h1-8,11-13,18,22H,9-10,14H2,(H,23,24)/t18-/m1/s1.
What are the key properties of 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide?
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide has a molecular weight of 364.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 51968356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).