N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

C19H23N3O4S — CID 75536601

IUPACN-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1
InChIInChI=1S/C19H23N3O4S/c1-12(23)22-14-6-4-13(5-7-14)9-20-15-11-26-16(18(15)24)10-21-19(25)17-3-2-8-27-17/h2-8,15-16,18,20,24H,9-11H2,1H3,(H,21,25)(H,22,23)/t15-,16-,18+/m1/s1
InChIKeyPXLWZOSJVPDRSN-NUJGCVRESA-N
MW389.48 g/mol
LogP1.35
Rot. Bonds7

About N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide

N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 75536601) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
PubChem CID75536601
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1
InChIInChI=1S/C19H23N3O4S/c1-12(23)22-14-6-4-13(5-7-14)9-20-15-11-26-16(18(15)24)10-21-19(25)17-3-2-8-27-17/h2-8,15-16,18,20,24H,9-11H2,1H3,(H,21,25)(H,22,23)/t15-,16-,18+/m1/s1
InChIKeyPXLWZOSJVPDRSN-NUJGCVRESA-N
XLogP1.35
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide (CID 75536601) is N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is PXLWZOSJVPDRSN-NUJGCVRESA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-12(23)22-14-6-4-13(5-7-14)9-20-15-11-26-16(18(15)24)10-21-19(25)17-3-2-8-27-17/h2-8,15-16,18,20,24H,9-11H2,1H3,(H,21,25)(H,22,23)/t15-,16-,18+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide?
N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.35, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[(4-acetamidophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 75536601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).