[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

C18H24N3O2S+ — CID 9028906

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)14-6-4-13(5-7-14)10-21(3)11-16(22)20-18-15(17(19)23)8-9-24-18/h4-9,12H,10-11H2,1-3H3,(H2,19,23)(H,20,22)/p+1
InChIKeyXQAKXNLEHYJDSS-UHFFFAOYSA-O
MW346.48 g/mol
LogP1.62
Rot. Bonds7

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 9028906) has the molecular formula C18H24N3O2S+ and a molecular weight of 346.48 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID9028906
Molecular FormulaC18H24N3O2S+
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C18H23N3O2S/c1-12(2)14-6-4-13(5-7-14)10-21(3)11-16(22)20-18-15(17(19)23)8-9-24-18/h4-9,12H,10-11H2,1-3H3,(H2,19,23)(H,20,22)/p+1
InChIKeyXQAKXNLEHYJDSS-UHFFFAOYSA-O
XLogP1.62
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium with MolForge

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Related Compounds

2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028873
[2-(2-methoxyanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028658
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494947
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028549
2-[3-(ethylamino)butanoylamino]thiophene-3-carboxamide
CID 55121254
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
[2-(3-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028568
2-[(3-chloro-2-methylpropanoyl)amino]thiophene-3-carboxamide
CID 62726791
2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 16849419

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium (CID 9028906) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](C)CC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is XQAKXNLEHYJDSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N3O2S/c1-12(2)14-6-4-13(5-7-14)10-21(3)11-16(22)20-18-15(17(19)23)8-9-24-18/h4-9,12H,10-11H2,1-3H3,(H2,19,23)(H,20,22)/p+1.
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 346.48 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 9028906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).