N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride

C19H24ClN3O2S — CID 119412713

IUPACN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1
InChIInChI=1S/C19H23N3O2S.ClH/c20-15-9-10-22(13-15)19(24)14-4-1-5-16(12-14)21-18(23)8-2-6-17-7-3-11-25-17;/h1,3-5,7,11-12,15H,2,6,8-10,13,20H2,(H,21,23);1H/t15-;/m1./s1
InChIKeyOMHQYQPRLJHWPH-XFULWGLBSA-N
MW393.94 g/mol
LogP3.30
Rot. Bonds6

About N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride

N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride (PubChem CID 119412713) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
PubChem CID119412713
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC NameN-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
SMILESCl.N[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1
InChIInChI=1S/C19H23N3O2S.ClH/c20-15-9-10-22(13-15)19(24)14-4-1-5-16(12-14)21-18(23)8-2-6-17-7-3-11-25-17;/h1,3-5,7,11-12,15H,2,6,8-10,13,20H2,(H,21,23);1H/t15-;/m1./s1
InChIKeyOMHQYQPRLJHWPH-XFULWGLBSA-N
XLogP3.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 119486542
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-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
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-[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
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride (CID 119412713) is N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride is Cl.N[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCCc3cccs3)c2)C1.
What is the InChIKey of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride?
The InChIKey is OMHQYQPRLJHWPH-XFULWGLBSA-N. The full InChI is InChI=1S/C19H23N3O2S.ClH/c20-15-9-10-22(13-15)19(24)14-4-1-5-16(12-14)21-18(23)8-2-6-17-7-3-11-25-17;/h1,3-5,7,11-12,15H,2,6,8-10,13,20H2,(H,21,23);1H/t15-;/m1./s1.
What are the key properties of N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride?
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride is sourced from PubChem (CID 119412713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).