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

C24H25N3O2S — CID 56517535

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C24H25N3O2S/c1-26-10-12-27(13-11-26)20-8-4-2-6-17(20)15-25-24(28)22-14-18-16-29-21-9-5-3-7-19(21)23(18)30-22/h2-9,14H,10-13,15-16H2,1H3,(H,25,28)
InChIKeyOYXNVAKDNIXZGG-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.99
Rot. Bonds4

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

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 56517535) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID56517535
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C24H25N3O2S/c1-26-10-12-27(13-11-26)20-8-4-2-6-17(20)15-25-24(28)22-14-18-16-29-21-9-5-3-7-19(21)23(18)30-22/h2-9,14H,10-13,15-16H2,1H3,(H,25,28)
InChIKeyOYXNVAKDNIXZGG-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 55975863
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 17446228
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877886
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 60517158
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N-[2-(4-methoxyphenyl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27548315
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877800
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 56517535) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide is CN1CCN(c2ccccc2CNC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is OYXNVAKDNIXZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-26-10-12-27(13-11-26)20-8-4-2-6-17(20)15-25-24(28)22-14-18-16-29-21-9-5-3-7-19(21)23(18)30-22/h2-9,14H,10-13,15-16H2,1H3,(H,25,28).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 3.99, 4 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]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 56517535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).