[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C18H22N3O2S+ — CID 9117109

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[NH+](CC(=O)Nc1sccc1C(N)=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H21N3O2S/c1-21(15-8-4-6-12-5-2-3-7-13(12)15)11-16(22)20-18-14(17(19)23)9-10-24-18/h2-3,5,7,9-10,15H,4,6,8,11H2,1H3,(H2,19,23)(H,20,22)/p+1/t15-/m1/s1
InChIKeyLFPGMIIFXOMRCS-OAHLLOKOSA-O
MW344.46 g/mol
LogP1.38
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 9117109) has the molecular formula C18H22N3O2S+ and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID9117109
Molecular FormulaC18H22N3O2S+
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC[NH+](CC(=O)Nc1sccc1C(N)=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C18H21N3O2S/c1-21(15-8-4-6-12-5-2-3-7-13(12)15)11-16(22)20-18-14(17(19)23)9-10-24-18/h2-3,5,7,9-10,15H,4,6,8,11H2,1H3,(H2,19,23)(H,20,22)/p+1/t15-/m1/s1
InChIKeyLFPGMIIFXOMRCS-OAHLLOKOSA-O
XLogP1.38
TPSA76.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9117112
methyl-[2-(2-methylanilino)-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260623
[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9261107
methyl-[2-(3-methylanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260580
methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681204
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260307
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8552327
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260498
2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8724940
methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8680865
methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260898
1-[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 167798006

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 9117109) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is C[NH+](CC(=O)Nc1sccc1C(N)=O)[C@@H]1CCCc2ccccc21.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is LFPGMIIFXOMRCS-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H21N3O2S/c1-21(15-8-4-6-12-5-2-3-7-13(12)15)11-16(22)20-18-14(17(19)23)9-10-24-18/h2-3,5,7,9-10,15H,4,6,8,11H2,1H3,(H2,19,23)(H,20,22)/p+1/t15-/m1/s1.
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 344.46 g/mol, XLogP of 1.38, 5 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-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 9117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).