[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate

C15H15N3O5S2 — CID 55484333

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H15N3O5S2/c1-8(17-13(21)10-3-2-5-24-10)15(22)23-7-11(19)18-14-9(12(16)20)4-6-25-14/h2-6,8H,7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyLXIBMZFHSGLOOU-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.21
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate (PubChem CID 55484333) has the molecular formula C15H15N3O5S2 and a molecular weight of 381.44 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
PubChem CID55484333
Molecular FormulaC15H15N3O5S2
Molecular Weight381.44 g/mol
Exact Mass381.05
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C15H15N3O5S2/c1-8(17-13(21)10-3-2-5-24-10)15(22)23-7-11(19)18-14-9(12(16)20)4-6-25-14/h2-6,8H,7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyLXIBMZFHSGLOOU-UHFFFAOYSA-N
XLogP1.21
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326686
(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
CID 55484589
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484499
ethyl 2-[[2-[2-(thiophene-2-carbonylamino)propanoyloxy]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 55484502
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484683
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 3557766
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4663993

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate (CID 55484333) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate is CC(NC(=O)c1cccs1)C(=O)OCC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is LXIBMZFHSGLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S2/c1-8(17-13(21)10-3-2-5-24-10)15(22)23-7-11(19)18-14-9(12(16)20)4-6-25-14/h2-6,8H,7H2,1H3,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 381.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 55484333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).