2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide

C17H25FN2O2S — CID 128993965

IUPAC2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide
SMILESCC(OCC1CC1)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1
InChIInChI=1S/C17H25FN2O2S/c1-12(22-11-13-4-5-13)17(21)19-8-15-7-14(18)9-20(15)10-16-3-2-6-23-16/h2-3,6,12-15H,4-5,7-11H2,1H3,(H,19,21)/t12?,14-,15-/m0/s1
InChIKeyJHSUUYILCVNITC-ZRNAQANOSA-N
MW340.46 g/mol
LogP2.59
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide

2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide (PubChem CID 128993965) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide
PubChem CID128993965
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide
SMILESCC(OCC1CC1)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1
InChIInChI=1S/C17H25FN2O2S/c1-12(22-11-13-4-5-13)17(21)19-8-15-7-14(18)9-20(15)10-16-3-2-6-23-16/h2-3,6,12-15H,4-5,7-11H2,1H3,(H,19,21)/t12?,14-,15-/m0/s1
InChIKeyJHSUUYILCVNITC-ZRNAQANOSA-N
XLogP2.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
2-methyl-N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3235708
(4aR,7aR)-4-(cyclopropylmethyl)-6-(thiophen-2-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97377348
N-[(3R,3aR,7aR)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]cyclopropanecarboxamide
CID 97460409
N-{[(3S,4R)-3-(dimethylamino)-1-(2-thienylmethyl)hexahydro-4-pyridinyl]methyl}-2-methoxyacetamide
CID 91920972
2-(2-methylpropoxy)-N-(1-thiophen-2-ylethyl)propanamide
CID 45818566
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887448
(2S)-2-ethoxy-N-(thiophen-2-ylmethyl)propanamide
CID 93615811
N-(thiophen-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45819436
(2R)-N-[(1S)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51727165
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51727166
(2S)-N-[(1S)-1-thiophen-2-ylethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51727167

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide (CID 128993965) is 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide is CC(OCC1CC1)C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is JHSUUYILCVNITC-ZRNAQANOSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-12(22-11-13-4-5-13)17(21)19-8-15-7-14(18)9-20(15)10-16-3-2-6-23-16/h2-3,6,12-15H,4-5,7-11H2,1H3,(H,19,21)/t12?,14-,15-/m0/s1.
What are the key properties of 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide?
2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 340.46 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 128993965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).