5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride

C17H22ClN3O3S — CID 146303460

IUPAC5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(-c2ccc(C(=O)NN3CCN(C)CC3)s2)ccc1O.Cl
InChIInChI=1S/C17H21N3O3S.ClH/c1-19-7-9-20(10-8-19)18-17(22)16-6-5-15(24-16)12-3-4-13(21)14(11-12)23-2;/h3-6,11,21H,7-10H2,1-2H3,(H,18,22);1H
InChIKeyNOFWEWPRGSPLDM-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.44
Rot. Bonds4

About 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride

5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 146303460) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID146303460
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride
SMILESCOc1cc(-c2ccc(C(=O)NN3CCN(C)CC3)s2)ccc1O.Cl
InChIInChI=1S/C17H21N3O3S.ClH/c1-19-7-9-20(10-8-19)18-17(22)16-6-5-15(24-16)12-3-4-13(21)14(11-12)23-2;/h3-6,11,21H,7-10H2,1-2H3,(H,18,22);1H
InChIKeyNOFWEWPRGSPLDM-UHFFFAOYSA-N
XLogP2.44
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trimethoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 9204696
4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
1-[5-(4-methoxyphenyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861149
N-[3-(dimethylamino)propyl]-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 177365606
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 146303450
5-acetyl-N-(4-hydroxy-3-methoxyphenyl)thiophene-2-carboxamide
CID 131938402
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 37344996
5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
CID 117091590
2,5-dimethyl-N-(4-methylpiperazin-1-yl)benzamide
CID 9204739

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride (CID 146303460) is 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride is COc1cc(-c2ccc(C(=O)NN3CCN(C)CC3)s2)ccc1O.Cl.
What is the InChIKey of 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is NOFWEWPRGSPLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S.ClH/c1-19-7-9-20(10-8-19)18-17(22)16-6-5-15(24-16)12-3-4-13(21)14(11-12)23-2;/h3-6,11,21H,7-10H2,1-2H3,(H,18,22);1H.
What are the key properties of 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride?
5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 383.90 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methoxyphenyl)-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 146303460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).