N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

C21H27N3O3S — CID 2814376

IUPACN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)
InChIKeyPGLUPFDXMXYLKD-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.74
Rot. Bonds7

About N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 2814376) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID2814376
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1
InChIInChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)
InChIKeyPGLUPFDXMXYLKD-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]thiophene-3-carboxamide
CID 2104820
2-(diethylamino)-N-(4-oxo-4H-thieno[3,4-c]chromen-3-yl)acetamide
CID 2817011
2-[[4-(Difluoromethoxy)benzoyl]amino]-5-phenylthiophene-3-carboxamide
CID 2132378
5-{[5-Ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino}-3,3-dimethyl-5-oxopentanoic acid
CID 2814703
1-(3-Carbamoyl-5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)thiophen-2-yl)urea
CID 10221890
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(pyrrolidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11517939
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11518244
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-4-ylcarbamoyl)thiophen-2-yl)urea
CID 11662575
(+/-)-1-(5-(3-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11676957

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 2814376) is N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CN2CCN(C)CC2)s1.
What is the InChIKey of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is PGLUPFDXMXYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25).
What are the key properties of N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2814376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).