N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide

C19H25N3O2S — CID 10021391

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2sccc2C)CC1
InChIInChI=1S/C19H25N3O2S/c1-15-7-14-25-18(15)19(23)20-8-9-21-10-12-22(13-11-21)16-5-3-4-6-17(16)24-2/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyYJWJVDHUZUPACF-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.62
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 10021391) 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]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide
PubChem CID10021391
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2sccc2C)CC1
InChIInChI=1S/C19H25N3O2S/c1-15-7-14-25-18(15)19(23)20-8-9-21-10-12-22(13-11-21)16-5-3-4-6-17(16)24-2/h3-7,14H,8-13H2,1-2H3,(H,20,23)
InChIKeyYJWJVDHUZUPACF-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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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 13911290
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-ylprop-2-enamide;oxalic acid
CID 44350653
5-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44393372
5-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44419053
6-ethynyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
CID 44419056
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide (CID 10021391) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2sccc2C)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is YJWJVDHUZUPACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-7-14-25-18(15)19(23)20-8-9-21-10-12-22(13-11-21)16-5-3-4-6-17(16)24-2/h3-7,14H,8-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylthiophene-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-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]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 10021391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).