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

C25H26N2O3S — CID 55951082

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C25H26N2O3S/c1-29-21-8-4-2-6-17(21)15-27-12-10-19(11-13-27)26-25(28)23-14-18-16-30-22-9-5-3-7-20(22)24(18)31-23/h2-9,14,19H,10-13,15-16H2,1H3,(H,26,28)
InChIKeyDDCPVIXLRHENPD-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.71
Rot. Bonds5

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

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 55951082) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID55951082
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCOc1ccccc1CN1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1
InChIInChI=1S/C25H26N2O3S/c1-29-21-8-4-2-6-17(21)15-27-12-10-19(11-13-27)26-25(28)23-14-18-16-30-22-9-5-3-7-20(22)24(18)31-23/h2-9,14,19H,10-13,15-16H2,1H3,(H,26,28)
InChIKeyDDCPVIXLRHENPD-UHFFFAOYSA-N
XLogP4.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
CID 167970684
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 129422145
N-(2,3-dihydro-1H-inden-1-yl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 46171578
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
5-(1,3-benzothiazol-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 55951601
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 56517535
(5-acetyl-2-methoxyphenyl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253094
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 46095961
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
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-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide (CID 55951082) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide is COc1ccccc1CN1CCC(NC(=O)c2cc3c(s2)-c2ccccc2OC3)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is DDCPVIXLRHENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-29-21-8-4-2-6-17(21)15-27-12-10-19(11-13-27)26-25(28)23-14-18-16-30-22-9-5-3-7-20(22)24(18)31-23/h2-9,14,19H,10-13,15-16H2,1H3,(H,26,28).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 55951082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).