N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide

C15H19N3O5S — CID 7049274

IUPACN-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O
InChIInChI=1S/C15H19N3O5S/c1-7(13(16)21)17-14(22)8-5-9(12(20)10(19)6-8)18-15(23)11-3-2-4-24-11/h2-5,7,9-10,12,19-20H,6H2,1H3,(H2,16,21)(H,17,22)(H,18,23)/t7-,9-,10-,12-/m1/s1
InChIKeyLTHDCGFMCXJXMA-UGKPPGOTSA-N
MW353.40 g/mol
LogP-1.11
Rot. Bonds5

About N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide

N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide (PubChem CID 7049274) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide
PubChem CID7049274
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O
InChIInChI=1S/C15H19N3O5S/c1-7(13(16)21)17-14(22)8-5-9(12(20)10(19)6-8)18-15(23)11-3-2-4-24-11/h2-5,7,9-10,12,19-20H,6H2,1H3,(H2,16,21)(H,17,22)(H,18,23)/t7-,9-,10-,12-/m1/s1
InChIKeyLTHDCGFMCXJXMA-UGKPPGOTSA-N
XLogP-1.11
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 5-1.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide (CID 7049274) is N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide is C[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O.
What is the InChIKey of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide?
The InChIKey is LTHDCGFMCXJXMA-UGKPPGOTSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-7(13(16)21)17-14(22)8-5-9(12(20)10(19)6-8)18-15(23)11-3-2-4-24-11/h2-5,7,9-10,12,19-20H,6H2,1H3,(H2,16,21)(H,17,22)(H,18,23)/t7-,9-,10-,12-/m1/s1.
What are the key properties of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide?
N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of -1.11, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 7049274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).