N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide

C12H20N2OS — CID 115655788

IUPACN-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
SMILESCC(C)NC(=O)CC(C)NCc1ccsc1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-12(15)6-10(3)13-7-11-4-5-16-8-11/h4-5,8-10,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyVEWLGJKECKATPO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.14
Rot. Bonds6

About N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide

N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide (PubChem CID 115655788) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
PubChem CID115655788
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide
SMILESCC(C)NC(=O)CC(C)NCc1ccsc1
InChIInChI=1S/C12H20N2OS/c1-9(2)14-12(15)6-10(3)13-7-11-4-5-16-8-11/h4-5,8-10,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyVEWLGJKECKATPO-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
N-(4-methoxyphenyl)-3-(thiophen-3-ylmethylamino)butanamide
CID 75382758
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
3-(furan-2-ylmethylamino)-N-propan-2-ylbutanamide
CID 115655784
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
methyl 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzoate
CID 61473251
2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide?
The IUPAC name of N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide (CID 115655788) is N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide.
What is the SMILES notation for N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide?
The canonical SMILES for N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide is CC(C)NC(=O)CC(C)NCc1ccsc1.
What is the InChIKey of N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide?
The InChIKey is VEWLGJKECKATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)14-12(15)6-10(3)13-7-11-4-5-16-8-11/h4-5,8-10,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide?
N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide has a molecular weight of 240.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(thiophen-3-ylmethylamino)butanamide is sourced from PubChem (CID 115655788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).