N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide

C13H20N2OS — CID 54953236

IUPACN-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1ccsc1)NCC(=O)NCC1CC1
InChIInChI=1S/C13H20N2OS/c1-10(6-12-4-5-17-9-12)14-8-13(16)15-7-11-2-3-11/h4-5,9-11,14H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyVVDNWMCAQQOYBZ-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.79
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide

N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide (PubChem CID 54953236) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
PubChem CID54953236
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
SMILESCC(Cc1ccsc1)NCC(=O)NCC1CC1
InChIInChI=1S/C13H20N2OS/c1-10(6-12-4-5-17-9-12)14-8-13(16)15-7-11-2-3-11/h4-5,9-11,14H,2-3,6-8H2,1H3,(H,15,16)
InChIKeyVVDNWMCAQQOYBZ-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
N-(cyclopropylmethyl)-2-(2-thiophen-3-ylethylamino)acetamide
CID 60976875
N-(2,6-dimethylphenyl)-2-[[(2S)-1-thiophen-3-ylpropan-2-yl]amino]acetamide
CID 97229162
N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
N-(2-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473869
N-methyl-N-propan-2-yl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953332
N-(5-chloro-2-methylphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61474079
N-(3-bromophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473952
methyl 2-acetamido-3-(1-thiophen-3-ylpropan-2-ylamino)propanoate
CID 103246488
2-[[2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 61475979
5-[(1-thiophen-3-ylpropan-2-ylamino)methyl]furan-2-carboxylic acid
CID 63317250
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide (CID 54953236) is N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide is CC(Cc1ccsc1)NCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
The InChIKey is VVDNWMCAQQOYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10(6-12-4-5-17-9-12)14-8-13(16)15-7-11-2-3-11/h4-5,9-11,14H,2-3,6-8H2,1H3,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide?
N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide has a molecular weight of 252.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 54953236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).