5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide

C18H26N2O4S — CID 98786018

IUPAC5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
SMILESC[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)s1)[C@H]1CCCO1
InChIInChI=1S/C18H26N2O4S/c1-11(13-5-3-9-23-13)19-17(21)15-7-8-16(25-15)18(22)20-12(2)14-6-4-10-24-14/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,19,21)(H,20,22)/t11-,12+,13+,14-
InChIKeyCHXRNUGMUMNIAK-LVEBTZEWSA-N
MW366.48 g/mol
LogP2.34
Rot. Bonds6

About 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide

5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide (PubChem CID 98786018) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
PubChem CID98786018
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
SMILESC[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)s1)[C@H]1CCCO1
InChIInChI=1S/C18H26N2O4S/c1-11(13-5-3-9-23-13)19-17(21)15-7-8-16(25-15)18(22)20-12(2)14-6-4-10-24-14/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,19,21)(H,20,22)/t11-,12+,13+,14-
InChIKeyCHXRNUGMUMNIAK-LVEBTZEWSA-N
XLogP2.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide with MolForge

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Related Compounds

methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676
5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 46441580
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 42950887
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide (CID 98786018) is 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide is C[C@H](NC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCO2)s1)[C@H]1CCCO1.
What is the InChIKey of 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide?
The InChIKey is CHXRNUGMUMNIAK-LVEBTZEWSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-11(13-5-3-9-23-13)19-17(21)15-7-8-16(25-15)18(22)20-12(2)14-6-4-10-24-14/h7-8,11-14H,3-6,9-10H2,1-2H3,(H,19,21)(H,20,22)/t11-,12+,13+,14-.
What are the key properties of 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide?
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide has a molecular weight of 366.48 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 98786018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).