2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide

C18H23N5OS — CID 154706314

IUPAC2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21)N(C)C
InChIInChI=1S/C18H23N5OS/c1-14(21(2)3)10-22(11-15-8-9-25-13-15)18(24)12-23-17-7-5-4-6-16(17)19-20-23/h4-9,13-14H,10-12H2,1-3H3
InChIKeyUKIFFUQGJIPMDC-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.47
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide

2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 154706314) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID154706314
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21)N(C)C
InChIInChI=1S/C18H23N5OS/c1-14(21(2)3)10-22(11-15-8-9-25-13-15)18(24)12-23-17-7-5-4-6-16(17)19-20-23/h4-9,13-14H,10-12H2,1-3H3
InChIKeyUKIFFUQGJIPMDC-UHFFFAOYSA-N
XLogP2.47
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
2-(benzotriazol-1-yl)-N-[4-(benzylamino)phenyl]-N-(thiophen-3-ylmethyl)acetamide
CID 56932136
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781
2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 166227374
2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 23991712
2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-tert-butyl-2-thiophen-3-ylacetamide
CID 3197969
2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 3198138
2-(benzotriazol-1-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)acetamide
CID 166186034
(2S)-3-(benzotriazol-1-yl)-2-methylpropanamide
CID 139088366
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
2-(benzotriazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylacetamide
CID 19460563
2-[[2-(benzotriazol-1-yl)acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 3198133

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide (CID 154706314) is 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide is CC(CN(Cc1ccsc1)C(=O)Cn1nnc2ccccc21)N(C)C.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is UKIFFUQGJIPMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-14(21(2)3)10-22(11-15-8-9-25-13-15)18(24)12-23-17-7-5-4-6-16(17)19-20-23/h4-9,13-14H,10-12H2,1-3H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide?
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(dimethylamino)propyl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 154706314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).