[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium

C15H16F2N3O2S+ — CID 9370522

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1sccc1C(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2N3O2S/c1-8(10-3-2-9(16)6-12(10)17)19-7-13(21)20-15-11(14(18)22)4-5-23-15/h2-6,8,19H,7H2,1H3,(H2,18,22)(H,20,21)/p+1/t8-/m0/s1
InChIKeyQGPBNKUGNNIISB-QMMMGPOBSA-O
MW340.38 g/mol
LogP1.39
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium (PubChem CID 9370522) has the molecular formula C15H16F2N3O2S+ and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
PubChem CID9370522
Molecular FormulaC15H16F2N3O2S+
Molecular Weight340.38 g/mol
Exact Mass340.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)Nc1sccc1C(N)=O)c1ccc(F)cc1F
InChIInChI=1S/C15H15F2N3O2S/c1-8(10-3-2-9(16)6-12(10)17)19-7-13(21)20-15-11(14(18)22)4-5-23-15/h2-6,8,19H,7H2,1H3,(H2,18,22)(H,20,21)/p+1/t8-/m0/s1
InChIKeyQGPBNKUGNNIISB-QMMMGPOBSA-O
XLogP1.39
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium (CID 9370522) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium is C[C@H]([NH2+]CC(=O)Nc1sccc1C(N)=O)c1ccc(F)cc1F.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
The InChIKey is QGPBNKUGNNIISB-QMMMGPOBSA-O. The full InChI is InChI=1S/C15H15F2N3O2S/c1-8(10-3-2-9(16)6-12(10)17)19-7-13(21)20-15-11(14(18)22)4-5-23-15/h2-6,8,19H,7H2,1H3,(H2,18,22)(H,20,21)/p+1/t8-/m0/s1.
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium has a molecular weight of 340.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9370522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).