N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide

C18H23N3O2S — CID 18161704

IUPACN-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCN(C)C(CNC(=O)CCNC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-21(2)15(16-9-6-12-24-16)13-20-17(22)10-11-19-18(23)14-7-4-3-5-8-14/h3-9,12,15H,10-11,13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJLTLRZWAYTZAQG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.29
Rot. Bonds8

About N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide

N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide (PubChem CID 18161704) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
PubChem CID18161704
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCN(C)C(CNC(=O)CCNC(=O)c1ccccc1)c1cccs1
InChIInChI=1S/C18H23N3O2S/c1-21(2)15(16-9-6-12-24-16)13-20-17(22)10-11-19-18(23)14-7-4-3-5-8-14/h3-9,12,15H,10-11,13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyJLTLRZWAYTZAQG-UHFFFAOYSA-N
XLogP2.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-phenylphenyl)acetamide
CID 4807612
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-fluorophenyl)propanamide
CID 46685783
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylbutanamide
CID 43006702
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide (CID 18161704) is N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide is CN(C)C(CNC(=O)CCNC(=O)c1ccccc1)c1cccs1.
What is the InChIKey of N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is JLTLRZWAYTZAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21(2)15(16-9-6-12-24-16)13-20-17(22)10-11-19-18(23)14-7-4-3-5-8-14/h3-9,12,15H,10-11,13H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide?
N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 345.47 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18161704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).