N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide

C21H23N3O3S — CID 17409323

IUPACN-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C21H23N3O3S/c1-2-7-22-19(25)13-23-8-10-24(11-9-23)21(26)18-12-15-14-27-17-6-4-3-5-16(17)20(15)28-18/h2-6,12H,1,7-11,13-14H2,(H,22,25)
InChIKeyACIILSSPCFCVDZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.37
Rot. Bonds5

About N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide

N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 17409323) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID17409323
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C21H23N3O3S/c1-2-7-22-19(25)13-23-8-10-24(11-9-23)21(26)18-12-15-14-27-17-6-4-3-5-16(17)20(15)28-18/h2-6,12H,1,7-11,13-14H2,(H,22,25)
InChIKeyACIILSSPCFCVDZ-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 25398083
(2-methylmorpholin-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 17466146
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 17446228
3-fluoro-1-(4H-thieno[3,2-c]chromene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259559
(4-amino-3,3-dimethylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 120814483
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 55330129
2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451858
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide (CID 17409323) is N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide is C=CCNC(=O)CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1.
What is the InChIKey of N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is ACIILSSPCFCVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-2-7-22-19(25)13-23-8-10-24(11-9-23)21(26)18-12-15-14-27-17-6-4-3-5-16(17)20(15)28-18/h2-6,12H,1,7-11,13-14H2,(H,22,25).
What are the key properties of N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide?
N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17409323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).