2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide

C18H21N3O2S — CID 9117112

IUPAC2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESCN(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)/t15-/m0/s1
InChIKeyLFPGMIIFXOMRCS-HNNXBMFYSA-N
MW343.45 g/mol
LogP2.79
Rot. Bonds5

About 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 9117112) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID9117112
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESCN(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)/t15-/m0/s1
InChIKeyLFPGMIIFXOMRCS-HNNXBMFYSA-N
XLogP2.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9117109
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-(2-acetylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 43025249
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(cyclopropylcarbamoyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260523
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 51565254
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982
N-(cyclopentylcarbamoyl)-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260380
N-(2,5-dimethylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 46807738

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide (CID 9117112) is 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide is CN(CC(=O)Nc1sccc1C(N)=O)[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is LFPGMIIFXOMRCS-HNNXBMFYSA-N. 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)/t15-/m0/s1.
What are the key properties of 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9117112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).