4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide

C24H26N2O3S — CID 41411582

IUPAC4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCCCCc1ccc([C@H](NC(=O)c2ccc(OCC(N)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-2-3-5-17-7-9-18(10-8-17)23(21-6-4-15-30-21)26-24(28)19-11-13-20(14-12-19)29-16-22(25)27/h4,6-15,23H,2-3,5,16H2,1H3,(H2,25,27)(H,26,28)/t23-/m0/s1
InChIKeyQFRCPHHVTJUEKO-QHCPKHFHSA-N
MW422.55 g/mol
LogP4.47
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 41411582) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID41411582
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCCCCc1ccc([C@H](NC(=O)c2ccc(OCC(N)=O)cc2)c2cccs2)cc1
InChIInChI=1S/C24H26N2O3S/c1-2-3-5-17-7-9-18(10-8-17)23(21-6-4-15-30-21)26-24(28)19-11-13-20(14-12-19)29-16-22(25)27/h4,6-15,23H,2-3,5,16H2,1H3,(H2,25,27)(H,26,28)/t23-/m0/s1
InChIKeyQFRCPHHVTJUEKO-QHCPKHFHSA-N
XLogP4.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 18275719
4-(2-amino-2-oxoethoxy)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]-3-chloro-5-methoxybenzamide
CID 24597433
4-(acetamidomethyl)-N-[(4-butylphenyl)-thiophen-2-ylmethyl]benzamide
CID 46655862
4-(2-amino-2-oxoethoxy)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110988
2-(4-nonylphenoxy)acetamide
CID 54388059
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(carbamoylamino)benzamide
CID 46534391
4-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]benzene-1,4-dicarboxamide
CID 71888540
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-propylbenzamide
CID 60584849
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(propan-2-yloxymethyl)benzamide
CID 18226971
6-imidazol-1-yl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 24665671
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide (CID 41411582) is 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide is CCCCc1ccc([C@H](NC(=O)c2ccc(OCC(N)=O)cc2)c2cccs2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is QFRCPHHVTJUEKO-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-2-3-5-17-7-9-18(10-8-17)23(21-6-4-15-30-21)26-24(28)19-11-13-20(14-12-19)29-16-22(25)27/h4,6-15,23H,2-3,5,16H2,1H3,(H2,25,27)(H,26,28)/t23-/m0/s1.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide?
4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 41411582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).