N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

C20H25N3O2S — CID 119486542

IUPACN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESNCC1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1
InChIInChI=1S/C20H25N3O2S/c21-13-15-9-10-23(14-15)20(25)16-4-1-5-17(12-16)22-19(24)8-2-6-18-7-3-11-26-18/h1,3-5,7,11-12,15H,2,6,8-10,13-14,21H2,(H,22,24)
InChIKeyDRLFJWOITRJDAL-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.13
Rot. Bonds7

About N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 119486542) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
PubChem CID119486542
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESNCC1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1
InChIInChI=1S/C20H25N3O2S/c21-13-15-9-10-23(14-15)20(25)16-4-1-5-17(12-16)22-19(24)8-2-6-18-7-3-11-26-18/h1,3-5,7,11-12,15H,2,6,8-10,13-14,21H2,(H,22,24)
InChIKeyDRLFJWOITRJDAL-UHFFFAOYSA-N
XLogP3.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119412713
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
CID 56551130
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55993255
N-[3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966949
N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967041
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N-[3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966434
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
4-thiophen-2-yl-N-[3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)phenyl]butanamide
CID 55961487
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (CID 119486542) is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is NCC1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1.
What is the InChIKey of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is DRLFJWOITRJDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c21-13-15-9-10-23(14-15)20(25)16-4-1-5-17(12-16)22-19(24)8-2-6-18-7-3-11-26-18/h1,3-5,7,11-12,15H,2,6,8-10,13-14,21H2,(H,22,24).
What are the key properties of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 371.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 119486542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).