2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide

C17H22N4OS — CID 95144719

IUPAC2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide
SMILESO=C(CN[C@H](c1cccs1)C1CCCCC1)Nc1cnccn1
InChIInChI=1S/C17H22N4OS/c22-16(21-15-11-18-8-9-19-15)12-20-17(14-7-4-10-23-14)13-5-2-1-3-6-13/h4,7-11,13,17,20H,1-3,5-6,12H2,(H,19,21,22)/t17-/m0/s1
InChIKeyOTULKGWDCCYRCS-KRWDZBQOSA-N
MW330.46 g/mol
LogP3.39
Rot. Bonds6

About 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide

2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide (PubChem CID 95144719) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide
PubChem CID95144719
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide
SMILESO=C(CN[C@H](c1cccs1)C1CCCCC1)Nc1cnccn1
InChIInChI=1S/C17H22N4OS/c22-16(21-15-11-18-8-9-19-15)12-20-17(14-7-4-10-23-14)13-5-2-1-3-6-13/h4,7-11,13,17,20H,1-3,5-6,12H2,(H,19,21,22)/t17-/m0/s1
InChIKeyOTULKGWDCCYRCS-KRWDZBQOSA-N
XLogP3.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-N-(2-methylpropyl)acetamide
CID 115900267
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 39613297

Frequently Asked Questions

What is the IUPAC name of 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide (CID 95144719) is 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide is O=C(CN[C@H](c1cccs1)C1CCCCC1)Nc1cnccn1.
What is the InChIKey of 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
The InChIKey is OTULKGWDCCYRCS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-16(21-15-11-18-8-9-19-15)12-20-17(14-7-4-10-23-14)13-5-2-1-3-6-13/h4,7-11,13,17,20H,1-3,5-6,12H2,(H,19,21,22)/t17-/m0/s1.
What are the key properties of 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide?
2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide has a molecular weight of 330.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(S)-cyclohexyl(thiophen-2-yl)methyl]amino]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 95144719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).