N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H21N3O4S — CID 75512178

IUPACN-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C19H21N3O4S/c23-16(14-7-9-27-12-14)10-20-17(24)11-21-19(26)13-3-5-15(6-4-13)22-8-1-2-18(22)25/h3-7,9,12,16,23H,1-2,8,10-11H2,(H,20,24)(H,21,26)
InChIKeyQBDOMHAHQUYEGB-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.45
Rot. Bonds7

About N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 75512178) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID75512178
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C19H21N3O4S/c23-16(14-7-9-27-12-14)10-20-17(24)11-21-19(26)13-3-5-15(6-4-13)22-8-1-2-18(22)25/h3-7,9,12,16,23H,1-2,8,10-11H2,(H,20,24)(H,21,26)
InChIKeyQBDOMHAHQUYEGB-UHFFFAOYSA-N
XLogP1.45
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38513895
N-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55867778
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47837776
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[2-[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)hydrazinyl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27684740
N-[2-[3-(4-fluorophenyl)sulfanylpropylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27802273
N-[2-[[(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55866569
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 75512178) is N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NCC(O)c1ccsc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is QBDOMHAHQUYEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-16(14-7-9-27-12-14)10-20-17(24)11-21-19(26)13-3-5-15(6-4-13)22-8-1-2-18(22)25/h3-7,9,12,16,23H,1-2,8,10-11H2,(H,20,24)(H,21,26).
What are the key properties of N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 75512178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).