2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide

C15H21ClN2OS — CID 34093228

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
SMILESCN(CC(=O)NC(C1CC1)C1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2OS/c1-18(8-12-6-7-13(16)20-12)9-14(19)17-15(10-2-3-10)11-4-5-11/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyBVKMSCCKKMRDIZ-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.14
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide (PubChem CID 34093228) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
PubChem CID34093228
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
SMILESCN(CC(=O)NC(C1CC1)C1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C15H21ClN2OS/c1-18(8-12-6-7-13(16)20-12)9-14(19)17-15(10-2-3-10)11-4-5-11/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,17,19)
InChIKeyBVKMSCCKKMRDIZ-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
CID 8849744
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 9294268
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 30372779
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47107220
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
CID 9293907
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021
2-[[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 8910725
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-methylbutanoic acid
CID 115220002

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide (CID 34093228) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide is CN(CC(=O)NC(C1CC1)C1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide?
The InChIKey is BVKMSCCKKMRDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-18(8-12-6-7-13(16)20-12)9-14(19)17-15(10-2-3-10)11-4-5-11/h6-7,10-11,15H,2-5,8-9H2,1H3,(H,17,19).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide has a molecular weight of 312.87 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 34093228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).