N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide

C19H25N3OS — CID 47009041

IUPACN-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(c2cccs2)N2CCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-15(23)21-17-8-6-16(7-9-17)13-20-14-18(19-5-4-12-24-19)22-10-2-3-11-22/h4-9,12,18,20H,2-3,10-11,13-14H2,1H3,(H,21,23)
InChIKeyAWHLEOHRGNASLV-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.63
Rot. Bonds7

About N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide

N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide (PubChem CID 47009041) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
PubChem CID47009041
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCC(c2cccs2)N2CCCC2)cc1
InChIInChI=1S/C19H25N3OS/c1-15(23)21-17-8-6-16(7-9-17)13-20-14-18(19-5-4-12-24-19)22-10-2-3-11-22/h4-9,12,18,20H,2-3,10-11,13-14H2,1H3,(H,21,23)
InChIKeyAWHLEOHRGNASLV-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8657309
1-(4-ethylphenyl)-3-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea
CID 8657315
1-[(4-fluorophenyl)methyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 51291099
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)but-2-enamide
CID 134057487
4-pyrrolidin-1-yl-4-thiophen-2-ylbutan-2-one;hydrochloride
CID 67780498
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
1-(4-nitrophenyl)-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 42912300
2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
2-(4-fluorophenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51186575
N-(4-methoxyphenyl)-3-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]butanamide
CID 17463704
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide (CID 47009041) is N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCC(c2cccs2)N2CCCC2)cc1.
What is the InChIKey of N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
The InChIKey is AWHLEOHRGNASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15(23)21-17-8-6-16(7-9-17)13-20-14-18(19-5-4-12-24-19)22-10-2-3-11-22/h4-9,12,18,20H,2-3,10-11,13-14H2,1H3,(H,21,23).
What are the key properties of N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide?
N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 47009041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).