N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide

C20H20ClN3O3S — CID 166155394

IUPACN-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide
SMILESC/C=C(\NC1CCC(=O)NC1=O)c1cc(Cl)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H20ClN3O3S/c1-2-14(22-15-8-9-17(25)23-19(15)27)13-11-16(21)28-20(13)24-18(26)10-12-6-4-3-5-7-12/h2-7,11,15,22H,8-10H2,1H3,(H,24,26)(H,23,25,27)/b14-2-
InChIKeyIXJVREXKAUHVOP-VVHNFQOZSA-N
MW417.92 g/mol
LogP3.34
Rot. Bonds6

About N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide

N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide (PubChem CID 166155394) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide
PubChem CID166155394
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide
SMILESC/C=C(\NC1CCC(=O)NC1=O)c1cc(Cl)sc1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H20ClN3O3S/c1-2-14(22-15-8-9-17(25)23-19(15)27)13-11-16(21)28-20(13)24-18(26)10-12-6-4-3-5-7-12/h2-7,11,15,22H,8-10H2,1H3,(H,24,26)(H,23,25,27)/b14-2-
InChIKeyIXJVREXKAUHVOP-VVHNFQOZSA-N
XLogP3.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-acetamide
CID 11296732
2-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-2-methyl-propionamide
CID 44395647
N-[(R)-1-(4-Chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-2-dimethylamino-acetamide
CID 44395654
4-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethyl]-butyramide
CID 44395681
3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[1-(2-thiophen-2-yl-ethylamino)-propyl]-phenyl}-piperazin-1-yl)-ethyl]-propionamide
CID 44395920
3-Amino-N-{(R)-1-(4-chloro-benzyl)-2-[4-(2-{[methyl-(2-thiophen-2-yl-ethyl)-amino]-methyl}-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-propionamide
CID 44395948
3-Amino-N-[(R)-1-(4-chloro-benzyl)-2-oxo-2-(4-{2-[1-(2-thiophen-2-yl-ethylamino)-ethyl]-phenyl}-piperazin-1-yl)-ethyl]-propionamide
CID 44396114
N-tert-butyl-1-[[5-[[2-(2-chlorophenyl)acetyl]amino]thiophen-3-yl]methyl]piperidine-4-carboxamide
CID 129626157
2-Amino-2-(4-chloro-phenyl)-1-(4-{2-[(2-thiophen-2-yl-ethylamino)-methyl]-phenyl}-piperazin-1-yl)-ethanone
CID 44395646
2-(2-((1-(4-Chlorophenyl)ethyl)amino)propanamido)thiophene-3-carboxamide
CID 45856326
(2S)-N-[2-(tert-butylamino)acetyl]-N-(5-chlorothiophen-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanamide
CID 53928715
(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-(4-methylthiophen-2-yl)-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 135316654

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide (CID 166155394) is N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide is C/C=C(\NC1CCC(=O)NC1=O)c1cc(Cl)sc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide?
The InChIKey is IXJVREXKAUHVOP-VVHNFQOZSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-2-14(22-15-8-9-17(25)23-19(15)27)13-11-16(21)28-20(13)24-18(26)10-12-6-4-3-5-7-12/h2-7,11,15,22H,8-10H2,1H3,(H,24,26)(H,23,25,27)/b14-2-.
What are the key properties of N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide?
N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide has a molecular weight of 417.92 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[(Z)-1-[(2,6-dioxopiperidin-3-yl)amino]prop-1-enyl]thiophen-2-yl]-2-phenylacetamide is sourced from PubChem (CID 166155394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).