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

C18H23N3O2S — CID 56782304

IUPACN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCN1CCN(CCOc2ccccc2NC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H23N3O2S/c1-20-7-9-21(10-8-20)11-12-23-17-5-3-2-4-16(17)19-18(22)15-6-13-24-14-15/h2-6,13-14H,7-12H2,1H3,(H,19,22)
InChIKeyOAFZELLDIZUQJR-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.63
Rot. Bonds6

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

N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide (PubChem CID 56782304) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
PubChem CID56782304
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide
SMILESCN1CCN(CCOc2ccccc2NC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H23N3O2S/c1-20-7-9-21(10-8-20)11-12-23-17-5-3-2-4-16(17)19-18(22)15-6-13-24-14-15/h2-6,13-14H,7-12H2,1H3,(H,19,22)
InChIKeyOAFZELLDIZUQJR-UHFFFAOYSA-N
XLogP2.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 166210291
2,2-difluoro-2-(1-hydroxycyclopentyl)-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]acetamide
CID 154756269
2-(4-methylpiperazin-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
CID 24836479
6-chloro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 167974582
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxamide
CID 166381252
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3-naphthalen-2-ylpropanamide
CID 71878336
7-fluoro-4-methoxy-N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1H-indole-2-carboxamide
CID 166221366
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55678936
N-[2-(2-piperidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 134110162
2-acetamido-N-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 92550749
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide (CID 56782304) is N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide is CN1CCN(CCOc2ccccc2NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide?
The InChIKey is OAFZELLDIZUQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20-7-9-21(10-8-20)11-12-23-17-5-3-2-4-16(17)19-18(22)15-6-13-24-14-15/h2-6,13-14H,7-12H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide?
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 56782304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).