N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide

C15H18N4O2S — CID 95278278

IUPACN-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide
SMILESC[C@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1cccnc1
InChIInChI=1S/C15H18N4O2S/c1-11(7-12-4-6-22-10-12)18-15(21)17-9-14(20)19-13-3-2-5-16-8-13/h2-6,8,10-11H,7,9H2,1H3,(H,19,20)(H2,17,18,21)/t11-/m1/s1
InChIKeyATOAEMURAUSSTG-LLVKDONJSA-N
MW318.40 g/mol
LogP2.01
Rot. Bonds6

About N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide

N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide (PubChem CID 95278278) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide
PubChem CID95278278
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide
SMILESC[C@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1cccnc1
InChIInChI=1S/C15H18N4O2S/c1-11(7-12-4-6-22-10-12)18-15(21)17-9-14(20)19-13-3-2-5-16-8-13/h2-6,8,10-11H,7,9H2,1H3,(H,19,20)(H2,17,18,21)/t11-/m1/s1
InChIKeyATOAEMURAUSSTG-LLVKDONJSA-N
XLogP2.01
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide with MolForge

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Related Compounds

2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61475979
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 96518518
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473952
N-pyridin-3-yl-3-thiophen-3-ylpropanamide;2,2,2-trifluoroacetic acid
CID 154889376
1-[1-(furan-2-yl)propan-2-yl]-3-pyridin-3-ylurea
CID 47172008
(2S)-2-hydroxy-4-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 107838978
2-[(1-thiophen-3-ylpropan-2-ylcarbamoylamino)methyl]butanoic acid
CID 65223500
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-[[N'-methyl-N-(6-methylheptan-2-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111173837
N-[2-oxo-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52518637
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide?
The IUPAC name of N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide (CID 95278278) is N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide?
The canonical SMILES for N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide is C[C@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide?
The InChIKey is ATOAEMURAUSSTG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11(7-12-4-6-22-10-12)18-15(21)17-9-14(20)19-13-3-2-5-16-8-13/h2-6,8,10-11H,7,9H2,1H3,(H,19,20)(H2,17,18,21)/t11-/m1/s1.
What are the key properties of N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide?
N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]acetamide is sourced from PubChem (CID 95278278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).