3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide

C13H22N2OS — CID 62831629

IUPAC3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCCNC(C)CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-4-14-10(2)8-13(16)15-11(3)7-12-5-6-17-9-12/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyIACAYOQSTNVCQE-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.18
Rot. Bonds7

About 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide

3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide (PubChem CID 62831629) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
PubChem CID62831629
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
SMILESCCNC(C)CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-4-14-10(2)8-13(16)15-11(3)7-12-5-6-17-9-12/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyIACAYOQSTNVCQE-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
CID 115655788
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide (CID 62831629) is 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide is CCNC(C)CC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
The InChIKey is IACAYOQSTNVCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-14-10(2)8-13(16)15-11(3)7-12-5-6-17-9-12/h5-6,9-11,14H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide?
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide has a molecular weight of 254.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide is sourced from PubChem (CID 62831629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).