N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide

C10H15N3O2S — CID 146415900

IUPACN-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNC)s1
InChIInChI=1S/C10H15N3O2S/c1-3-7(14)12-9-4-5-10(16-9)13-8(15)6-11-2/h4-5,11H,3,6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZPKTZYHOXQIKRM-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.25
Rot. Bonds5

About N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide

N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide (PubChem CID 146415900) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide
PubChem CID146415900
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNC)s1
InChIInChI=1S/C10H15N3O2S/c1-3-7(14)12-9-4-5-10(16-9)13-8(15)6-11-2/h4-5,11H,3,6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZPKTZYHOXQIKRM-UHFFFAOYSA-N
XLogP1.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamidothiophen-2-yl)acetamide
CID 785593
N,N'-(Thiene-2,3-diyl)diethanimidic acid
CID 14290766
3-acetylamino-N-2-thienylpropanamide
CID 139591621
Acetamide, N-(2-(acetylamino)-3-thienyl)-N-butyl-
CID 3078777
N-[3-[acetyl-[2-(dimethylamino)ethyl]amino]thiophen-2-yl]acetamide
CID 3078788
N-[3-[acetyl-[2-(diethylamino)ethyl]amino]thiophen-2-yl]acetamide
CID 3078792
2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86795587
2-(Thiophen-2-ylamino)-2-thioxoacetamide
CID 6425010
N-thiophen-2-ylpropanamide
CID 16640022
2-[acetyl(thiophen-2-yl)amino]-N-ethylpropanamide
CID 19602467
2-(Thiophen-2-ylamino)acetamide
CID 19834261
2-[[2-(Thiophen-2-ylamino)acetyl]amino]acetic acid
CID 19834262

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide?
The IUPAC name of N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide (CID 146415900) is N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide.
What is the SMILES notation for N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide?
The canonical SMILES for N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNC)s1.
What is the InChIKey of N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide?
The InChIKey is ZPKTZYHOXQIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-7(14)12-9-4-5-10(16-9)13-8(15)6-11-2/h4-5,11H,3,6H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide?
N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide has a molecular weight of 241.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(methylamino)acetyl]amino]thiophen-2-yl]propanamide is sourced from PubChem (CID 146415900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).