N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide

C19H25N3O2S — CID 10473644

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15-7-8-18(25-15)19(23)20-9-10-21-11-13-22(14-12-21)16-5-3-4-6-17(16)24-2/h3-8H,9-14H2,1-2H3,(H,20,23)
InChIKeyTVCKSRUQZAILGQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 10473644) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
PubChem CID10473644
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15-7-8-18(25-15)19(23)20-9-10-21-11-13-22(14-12-21)16-5-3-4-6-17(16)24-2/h3-8H,9-14H2,1-2H3,(H,20,23)
InChIKeyTVCKSRUQZAILGQ-UHFFFAOYSA-N
XLogP2.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide (CID 10473644) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2ccc(C)s2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is TVCKSRUQZAILGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-7-8-18(25-15)19(23)20-9-10-21-11-13-22(14-12-21)16-5-3-4-6-17(16)24-2/h3-8H,9-14H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 10473644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).