3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide

C18H23N3O2S — CID 75369910

IUPAC3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-20-8-10-21(11-9-20)13-14-3-5-15(6-4-14)19-18(22)17-16(23-2)7-12-24-17/h3-7,12H,8-11,13H2,1-2H3,(H,19,22)
InChIKeySOAYXVNHJJQBMI-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.76
Rot. Bonds5

About 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide

3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide (PubChem CID 75369910) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
PubChem CID75369910
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-20-8-10-21(11-9-20)13-14-3-5-15(6-4-14)19-18(22)17-16(23-2)7-12-24-17/h3-7,12H,8-11,13H2,1-2H3,(H,19,22)
InChIKeySOAYXVNHJJQBMI-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
CID 86978782
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
[4-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108743623
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55762515
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-hydroxy-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81118004
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide (CID 75369910) is 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide is COc1ccsc1C(=O)Nc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is SOAYXVNHJJQBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20-8-10-21(11-9-20)13-14-3-5-15(6-4-14)19-18(22)17-16(23-2)7-12-24-17/h3-7,12H,8-11,13H2,1-2H3,(H,19,22).
What are the key properties of 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide?
3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 75369910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).