N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide

C21H26N2O3S — CID 97256447

IUPACN-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CCO1
InChIInChI=1S/C21H26N2O3S/c1-14(2)17-13-16(10-11-26-17)22-21(25)19(15-7-4-3-5-8-15)23-20(24)18-9-6-12-27-18/h3-9,12,14,16-17,19H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)/t16-,17+,19-/m1/s1
InChIKeyQVYHYRIHPQTAAC-ZIFCJYIRSA-N
MW386.52 g/mol
LogP3.54
Rot. Bonds6

About N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide

N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 97256447) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide
PubChem CID97256447
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CCO1
InChIInChI=1S/C21H26N2O3S/c1-14(2)17-13-16(10-11-26-17)22-21(25)19(15-7-4-3-5-8-15)23-20(24)18-9-6-12-27-18/h3-9,12,14,16-17,19H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)/t16-,17+,19-/m1/s1
InChIKeyQVYHYRIHPQTAAC-ZIFCJYIRSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide (CID 97256447) is N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide is CC(C)[C@@H]1C[C@H](NC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)CCO1.
What is the InChIKey of N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is QVYHYRIHPQTAAC-ZIFCJYIRSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14(2)17-13-16(10-11-26-17)22-21(25)19(15-7-4-3-5-8-15)23-20(24)18-9-6-12-27-18/h3-9,12,14,16-17,19H,10-11,13H2,1-2H3,(H,22,25)(H,23,24)/t16-,17+,19-/m1/s1.
What are the key properties of N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide?
N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-oxo-1-phenyl-2-[[(2S,4R)-2-propan-2-yloxan-4-yl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 97256447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).