N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C27H31N3O2S — CID 92666787

IUPACN-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@H]2C)c1
InChIInChI=1S/C27H31N3O2S/c1-19-7-5-8-22(15-19)30-14-13-29(17-20(30)2)12-6-11-28-27(31)25-16-21-18-32-24-10-4-3-9-23(24)26(21)33-25/h3-5,7-10,15-16,20H,6,11-14,17-18H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKeyFYXBWCHZYQXSTO-HXUWFJFHSA-N
MW461.63 g/mol
LogP4.95
Rot. Bonds6

About N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide

N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 92666787) has the molecular formula C27H31N3O2S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID92666787
Molecular FormulaC27H31N3O2S
Molecular Weight461.63 g/mol
Exact Mass461.21
IUPAC NameN-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCc1cccc(N2CCN(CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@H]2C)c1
InChIInChI=1S/C27H31N3O2S/c1-19-7-5-8-22(15-19)30-14-13-29(17-20(30)2)12-6-11-28-27(31)25-16-21-18-32-24-10-4-3-9-23(24)26(21)33-25/h3-5,7-10,15-16,20H,6,11-14,17-18H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKeyFYXBWCHZYQXSTO-HXUWFJFHSA-N
XLogP4.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877886
1,3-dimethyl-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53083092
1,3-dimethyl-N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 100891499
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877747
9-methyl-N-(3-morpholin-4-ylpropyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877717
[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 25398083
N-[2-[di(propan-2-yl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 27231274
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 60517158
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 17446228
2-(4-methyl-2,3-dioxoquinoxalin-1-yl)-N-[3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 46357058
N-[2-(furan-2-carbonylamino)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 134046907
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 56517535

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 92666787) is N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is Cc1cccc(N2CCN(CCCNC(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@H]2C)c1.
What is the InChIKey of N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is FYXBWCHZYQXSTO-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H31N3O2S/c1-19-7-5-8-22(15-19)30-14-13-29(17-20(30)2)12-6-11-28-27(31)25-16-21-18-32-24-10-4-3-9-23(24)26(21)33-25/h3-5,7-10,15-16,20H,6,11-14,17-18H2,1-2H3,(H,28,31)/t20-/m1/s1.
What are the key properties of N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 92666787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).