(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide

C15H23N3O2S — CID 95156564

IUPAC(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)NCC1(c2cccs2)CCCC1
InChIInChI=1S/C15H23N3O2S/c1-11(13(19)18-14(20)16-2)17-10-15(7-3-4-8-15)12-6-5-9-21-12/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H2,16,18,19,20)/t11-/m0/s1
InChIKeyOGLXNKBQPGFMQY-NSHDSACASA-N
MW309.44 g/mol
LogP1.99
Rot. Bonds5

About (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide

(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide (PubChem CID 95156564) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
PubChem CID95156564
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)NCC1(c2cccs2)CCCC1
InChIInChI=1S/C15H23N3O2S/c1-11(13(19)18-14(20)16-2)17-10-15(7-3-4-8-15)12-6-5-9-21-12/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H2,16,18,19,20)/t11-/m0/s1
InChIKeyOGLXNKBQPGFMQY-NSHDSACASA-N
XLogP1.99
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide (CID 95156564) is (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide is CNC(=O)NC(=O)[C@H](C)NCC1(c2cccs2)CCCC1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide?
The InChIKey is OGLXNKBQPGFMQY-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(13(19)18-14(20)16-2)17-10-15(7-3-4-8-15)12-6-5-9-21-12/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H2,16,18,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide?
(2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide has a molecular weight of 309.44 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[(1-thiophen-2-ylcyclopentyl)methylamino]propanamide is sourced from PubChem (CID 95156564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).