(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide

C17H21N3OS — CID 97236683

IUPAC(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccccc1NCc1ccsc1
InChIInChI=1S/C17H21N3OS/c18-17(21)16-6-3-8-20(16)11-14-4-1-2-5-15(14)19-10-13-7-9-22-12-13/h1-2,4-5,7,9,12,16,19H,3,6,8,10-11H2,(H2,18,21)/t16-/m1/s1
InChIKeySATQFKRCQXYIOQ-MRXNPFEDSA-N
MW315.44 g/mol
LogP2.81
Rot. Bonds6

About (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide

(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 97236683) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID97236683
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1Cc1ccccc1NCc1ccsc1
InChIInChI=1S/C17H21N3OS/c18-17(21)16-6-3-8-20(16)11-14-4-1-2-5-15(14)19-10-13-7-9-22-12-13/h1-2,4-5,7,9,12,16,19H,3,6,8,10-11H2,(H2,18,21)/t16-/m1/s1
InChIKeySATQFKRCQXYIOQ-MRXNPFEDSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 102563725
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CID 142687635
(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
(2S)-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67253384
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56548081
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56547610
1-[[2-[[3-[(3-fluorophenoxy)methyl]benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 86950776
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
1-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 102563728
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide (CID 97236683) is (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1Cc1ccccc1NCc1ccsc1.
What is the InChIKey of (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SATQFKRCQXYIOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3OS/c18-17(21)16-6-3-8-20(16)11-14-4-1-2-5-15(14)19-10-13-7-9-22-12-13/h1-2,4-5,7,9,12,16,19H,3,6,8,10-11H2,(H2,18,21)/t16-/m1/s1.
What are the key properties of (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97236683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).