N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide

C15H20N2O3S — CID 6724674

IUPACN-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1CC2CCC1C2)c1cccs1
InChIInChI=1S/C15H20N2O3S/c18-8-12(17-15(20)13-2-1-5-21-13)14(19)16-11-7-9-3-4-10(11)6-9/h1-2,5,9-12,18H,3-4,6-8H2,(H,16,19)(H,17,20)/t9?,10?,11?,12-/m0/s1
InChIKeySPZULPXUGLOTIE-ROAFRPBMSA-N
MW308.40 g/mol
LogP1.14
Rot. Bonds5

About N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 6724674) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID6724674
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NC1CC2CCC1C2)c1cccs1
InChIInChI=1S/C15H20N2O3S/c18-8-12(17-15(20)13-2-1-5-21-13)14(19)16-11-7-9-3-4-10(11)6-9/h1-2,5,9-12,18H,3-4,6-8H2,(H,16,19)(H,17,20)/t9?,10?,11?,12-/m0/s1
InChIKeySPZULPXUGLOTIE-ROAFRPBMSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 6667462
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 3345388
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723490
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-(3-phenylprop-2-enoylamino)propanamide
CID 4685068
N-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195012
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
2-(2-bicyclo[2.2.1]heptanylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285581
N-[1-[(3-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 120553712
N-(2-adamantyl)thiophene-2-carboxamide
CID 875243
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
(2S)-N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-phenylsulfanylpropanamide
CID 881755

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 6724674) is N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide is O=C(N[C@@H](CO)C(=O)NC1CC2CCC1C2)c1cccs1.
What is the InChIKey of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is SPZULPXUGLOTIE-ROAFRPBMSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-8-12(17-15(20)13-2-1-5-21-13)14(19)16-11-7-9-3-4-10(11)6-9/h1-2,5,9-12,18H,3-4,6-8H2,(H,16,19)(H,17,20)/t9?,10?,11?,12-/m0/s1.
What are the key properties of N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 6724674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).