N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide

C18H16ClN3O4S — CID 167431024

IUPACN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide
SMILESO=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C18H16ClN3O4S/c19-13-8-11(9-15(24)20-12-6-7-14(23)21-17(12)26)18(27-13)22-16(25)10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,20,24)(H,22,25)(H,21,23,26)
InChIKeyVMINCHJWCSUHDG-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.12
Rot. Bonds5

About N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide

N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide (PubChem CID 167431024) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide
PubChem CID167431024
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC NameN-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide
SMILESO=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)c2ccccc2)C(=O)N1
InChIInChI=1S/C18H16ClN3O4S/c19-13-8-11(9-15(24)20-12-6-7-14(23)21-17(12)26)18(27-13)22-16(25)10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,20,24)(H,22,25)(H,21,23,26)
InChIKeyVMINCHJWCSUHDG-UHFFFAOYSA-N
XLogP2.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.12
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

5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
CID 9954980
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
5-chloro-N-((1S,2R)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11212885
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-chlorophenyl)thiophen-2-yl)urea
CID 11303495
5-chloro-N-((1R,2S)-2-(4-(2-oxopiperidin-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11351302
5-chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 11408450
5-chloro-N-(1-(4-(2-oxopyridin-1(2H)-yl)benzamido)propan-2-yl)thiophene-2-carboxamide
CID 44432470
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)propyl)thiophene-2-carboxamide
CID 44432472
cis-N-(2-((5-chlorothiophen-2-yl)methylamino)cyclopentyl)-4-(2-oxopyridin-1(2H)-yl)benzamide
CID 44432570
2-[[2-[[(4-Chlorophenyl)-phenylmethyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 16268713
5-chloro-N-(2-methyl-1-(4-(2-oxopyridin-1(2H)-yl)benzamido)propan-2-yl)thiophene-2-carboxamide
CID 44432471

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide (CID 167431024) is N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide is O=C1CCC(NC(=O)Cc2cc(Cl)sc2NC(=O)c2ccccc2)C(=O)N1.
What is the InChIKey of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide?
The InChIKey is VMINCHJWCSUHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c19-13-8-11(9-15(24)20-12-6-7-14(23)21-17(12)26)18(27-13)22-16(25)10-4-2-1-3-5-10/h1-5,8,12H,6-7,9H2,(H,20,24)(H,22,25)(H,21,23,26).
What are the key properties of N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide?
N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide has a molecular weight of 405.86 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 167431024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).