N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide

C18H25N3O4S — CID 167431062

IUPACN-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1sc(NC(=O)C(C)(C)C)c(CC(=O)NC2CCC(=O)NC2=O)c1C
InChIInChI=1S/C18H25N3O4S/c1-9-10(2)26-16(21-17(25)18(3,4)5)11(9)8-14(23)19-12-6-7-13(22)20-15(12)24/h12H,6-8H2,1-5H3,(H,19,23)(H,21,25)(H,20,22,24)
InChIKeyNFPYFNWWFBLXHV-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.81
Rot. Bonds4

About N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide

N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide (PubChem CID 167431062) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide
PubChem CID167431062
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide
SMILESCc1sc(NC(=O)C(C)(C)C)c(CC(=O)NC2CCC(=O)NC2=O)c1C
InChIInChI=1S/C18H25N3O4S/c1-9-10(2)26-16(21-17(25)18(3,4)5)11(9)8-14(23)19-12-6-7-13(22)20-15(12)24/h12H,6-8H2,1-5H3,(H,19,23)(H,21,25)(H,20,22,24)
InChIKeyNFPYFNWWFBLXHV-UHFFFAOYSA-N
XLogP1.81
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.81
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-(2-acetamido-4-cyclopropylthiophen-3-yl)-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 167431042
N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
CID 170777735
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(4-methoxythiophen-3-yl)acetamide
CID 167431037
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79256698
tert-butyl N-[11-[4-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]anilino]-11-oxoundecyl]carbamate
CID 164817595
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2,6-dioxopiperidin-3-yl)propanamide
CID 127622650

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide (CID 167431062) is N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide is Cc1sc(NC(=O)C(C)(C)C)c(CC(=O)NC2CCC(=O)NC2=O)c1C.
What is the InChIKey of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide?
The InChIKey is NFPYFNWWFBLXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-9-10(2)26-16(21-17(25)18(3,4)5)11(9)8-14(23)19-12-6-7-13(22)20-15(12)24/h12H,6-8H2,1-5H3,(H,19,23)(H,21,25)(H,20,22,24).
What are the key properties of N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide?
N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide has a molecular weight of 379.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]-4,5-dimethylthiophen-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167431062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).