(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide

C20H26N2O2S — CID 120784650

IUPAC(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide
SMILESCCCc1ccc(C(NC(=O)[C@@H]2CC[C@H](CN)O2)c2cccs2)cc1
InChIInChI=1S/C20H26N2O2S/c1-2-4-14-6-8-15(9-7-14)19(18-5-3-12-25-18)22-20(23)17-11-10-16(13-21)24-17/h3,5-9,12,16-17,19H,2,4,10-11,13,21H2,1H3,(H,22,23)/t16-,17+,19?/m1/s1
InChIKeyBDKFMZANTIPWAN-FQZXCLDYSA-N
MW358.51 g/mol
LogP3.41
Rot. Bonds7

About (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide (PubChem CID 120784650) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide
PubChem CID120784650
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide
SMILESCCCc1ccc(C(NC(=O)[C@@H]2CC[C@H](CN)O2)c2cccs2)cc1
InChIInChI=1S/C20H26N2O2S/c1-2-4-14-6-8-15(9-7-14)19(18-5-3-12-25-18)22-20(23)17-11-10-16(13-21)24-17/h3,5-9,12,16-17,19H,2,4,10-11,13,21H2,1H3,(H,22,23)/t16-,17+,19?/m1/s1
InChIKeyBDKFMZANTIPWAN-FQZXCLDYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide;hydrochloride
CID 120784713
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
2-[[5-(aminomethyl)oxolane-2-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284832
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)oxolane-2-carboxamide
CID 120787356
(2S,5R)-5-(aminomethyl)-N-[bis(4-fluorophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120789691
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 46655706
1-(furan-2-ylmethyl)-5-oxo-N-[(4-propylphenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide
CID 55397699
(2R)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 9136299
N-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32842579
N-[(4-propylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43393768
(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136339

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide (CID 120784650) is (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide is CCCc1ccc(C(NC(=O)[C@@H]2CC[C@H](CN)O2)c2cccs2)cc1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide?
The InChIKey is BDKFMZANTIPWAN-FQZXCLDYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-2-4-14-6-8-15(9-7-14)19(18-5-3-12-25-18)22-20(23)17-11-10-16(13-21)24-17/h3,5-9,12,16-17,19H,2,4,10-11,13,21H2,1H3,(H,22,23)/t16-,17+,19?/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120784650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).