N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C23H23N3O2S — CID 6623094

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C23H23N3O2S/c1-25-10-12-26(13-11-25)19-8-4-3-7-18(19)24-23(27)21-14-16-15-28-20-9-5-2-6-17(20)22(16)29-21/h2-9,14H,10-13,15H2,1H3,(H,24,27)
InChIKeyRHFBQAJZKIOCJD-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.31
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 6623094) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID6623094
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C23H23N3O2S/c1-25-10-12-26(13-11-25)19-8-4-3-7-18(19)24-23(27)21-14-16-15-28-20-9-5-2-6-17(20)22(16)29-21/h2-9,14H,10-13,15H2,1H3,(H,24,27)
InChIKeyRHFBQAJZKIOCJD-UHFFFAOYSA-N
XLogP4.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 6623094) is N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CN1CCN(c2ccccc2NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is RHFBQAJZKIOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-25-10-12-26(13-11-25)19-8-4-3-7-18(19)24-23(27)21-14-16-15-28-20-9-5-2-6-17(20)22(16)29-21/h2-9,14H,10-13,15H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 6623094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).