N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide

C23H24N6O2S — CID 53320540

IUPACN-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H24N6O2S/c1-29(2)11-10-24-21(30)18-13-20(15-6-4-3-5-7-15)32-22(18)27-23(31)26-17-8-9-19-16(12-17)14-25-28-19/h3-9,12-14H,10-11H2,1-2H3,(H,24,30)(H,25,28)(H2,26,27,31)
InChIKeyVXIKSQKTIPKASH-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.23
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide

N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide (PubChem CID 53320540) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide
PubChem CID53320540
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C23H24N6O2S/c1-29(2)11-10-24-21(30)18-13-20(15-6-4-3-5-7-15)32-22(18)27-23(31)26-17-8-9-19-16(12-17)14-25-28-19/h3-9,12-14H,10-11H2,1-2H3,(H,24,30)(H,25,28)(H2,26,27,31)
InChIKeyVXIKSQKTIPKASH-UHFFFAOYSA-N
XLogP4.23
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide (CID 53320540) is N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide?
The InChIKey is VXIKSQKTIPKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-29(2)11-10-24-21(30)18-13-20(15-6-4-3-5-7-15)32-22(18)27-23(31)26-17-8-9-19-16(12-17)14-25-28-19/h3-9,12-14H,10-11H2,1-2H3,(H,24,30)(H,25,28)(H2,26,27,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(1H-indazol-5-ylcarbamoylamino)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 53320540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).