propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate

C22H25N3O4S — CID 19289072

IUPACpropan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)Nc1sccc1C(=O)OC(C)C
InChIInChI=1S/C22H25N3O4S/c1-5-25(6-2)15-8-7-14-11-17(19(23)29-18(14)12-15)20(26)24-21-16(9-10-30-21)22(27)28-13(3)4/h7-13,23H,5-6H2,1-4H3,(H,24,26)/b23-19-
InChIKeyUTSSXQQJVGUETK-NMWGTECJSA-N
MW427.53 g/mol
LogP4.64
Rot. Bonds7

About propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate

propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 19289072) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID19289072
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Namepropan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate
SMILES[H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)Nc1sccc1C(=O)OC(C)C
InChIInChI=1S/C22H25N3O4S/c1-5-25(6-2)15-8-7-14-11-17(19(23)29-18(14)12-15)20(26)24-21-16(9-10-30-21)22(27)28-13(3)4/h7-13,23H,5-6H2,1-4H3,(H,24,26)/b23-19-
InChIKeyUTSSXQQJVGUETK-NMWGTECJSA-N
XLogP4.64
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate 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

ethyl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]-5-propan-2-ylthiophene-3-carboxylate
CID 19289096
propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19289071
7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 40621529
N-[3-cyano-5-(ethylcarbamoyl)-4-methylthiophen-2-yl]-7-(diethylamino)-2-iminochromene-3-carboxamide
CID 19289119
ethyl 2-[(2-imino-6-nitrochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 17379742
7-(diethylamino)-2-imino-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-3-carboxamide
CID 19289177
7-(diethylamino)-2-imino-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]chromene-3-carboxamide
CID 19289141
7-(diethylamino)-2-hydroxyimino-N-(4-methylphenyl)chromene-3-carboxamide
CID 5134370
1-[2-imino-7-(N-phenylanilino)chromen-3-yl]ethanone
CID 22964612
2-[[7-(diethylamino)-2-iminochromen-3-yl]-(1,3-dioxoisoindol-2-yl)methylidene]propanedinitrile
CID 102054566
7-(diethylamino)-2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 2968471
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate (CID 19289072) is propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate is [H]/N=c1\oc2cc(N(CC)CC)ccc2cc1C(=O)Nc1sccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is UTSSXQQJVGUETK-NMWGTECJSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-5-25(6-2)15-8-7-14-11-17(19(23)29-18(14)12-15)20(26)24-21-16(9-10-30-21)22(27)28-13(3)4/h7-13,23H,5-6H2,1-4H3,(H,24,26)/b23-19-.
What are the key properties of propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate?
propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 427.53 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[7-(diethylamino)-2-iminochromene-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 19289072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).