N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

C23H25N3O4S — CID 86889383

IUPACN-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cccc(C(C)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)c1
InChIInChI=1S/C23H25N3O4S/c1-16(17-5-3-6-18(15-17)29-2)25-10-12-26(13-11-25)23(28)20-8-9-21(31-20)24-22(27)19-7-4-14-30-19/h3-9,14-16H,10-13H2,1-2H3,(H,24,27)
InChIKeyHYSUAMYCRCQWNU-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.12
Rot. Bonds6

About N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 86889383) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID86889383
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
SMILESCOc1cccc(C(C)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)c1
InChIInChI=1S/C23H25N3O4S/c1-16(17-5-3-6-18(15-17)29-2)25-10-12-26(13-11-25)23(28)20-8-9-21(31-20)24-22(27)19-7-4-14-30-19/h3-9,14-16H,10-13H2,1-2H3,(H,24,27)
InChIKeyHYSUAMYCRCQWNU-UHFFFAOYSA-N
XLogP4.12
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 49070793
N-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55890673
N-[5-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31307900
N-[3-[(R)-(3-methoxyphenyl)-piperidin-1-ylmethyl]-5-methylthiophen-2-yl]furan-2-carboxamide
CID 93478837
N-[5-[1-(3-chlorophenyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51330571
N-[3-[(R)-(3-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]furan-2-carboxamide
CID 93479454
[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 99820617
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
N-[5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 31314920
N-[5-[4-(6-methylpyridazin-3-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86941354
N-[5-[methyl-[(1S)-1-phenylethyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 32909045
(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 86889383) is N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is COc1cccc(C(C)N2CCN(C(=O)c3ccc(NC(=O)c4ccco4)s3)CC2)c1.
What is the InChIKey of N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is HYSUAMYCRCQWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-16(17-5-3-6-18(15-17)29-2)25-10-12-26(13-11-25)23(28)20-8-9-21(31-20)24-22(27)19-7-4-14-30-19/h3-9,14-16H,10-13H2,1-2H3,(H,24,27).
What are the key properties of N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86889383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).