N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride

C22H30ClN3O2S — CID 119532525

IUPACN-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C1CCNC1.Cl
InChIInChI=1S/C22H29N3O2S.ClH/c1-2-13-25(19-11-12-23-16-19)22(27)17-6-3-7-18(15-17)24-21(26)10-4-8-20-9-5-14-28-20;/h3,5-7,9,14-15,19,23H,2,4,8,10-13,16H2,1H3,(H,24,26);1H
InChIKeyCPAAVVFWXPZYJB-UHFFFAOYSA-N
MW436.02 g/mol
LogP4.35
Rot. Bonds9

About N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride

N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride (PubChem CID 119532525) has the molecular formula C22H30ClN3O2S and a molecular weight of 436.02 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
PubChem CID119532525
Molecular FormulaC22H30ClN3O2S
Molecular Weight436.02 g/mol
Exact Mass435.17
IUPAC NameN-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C1CCNC1.Cl
InChIInChI=1S/C22H29N3O2S.ClH/c1-2-13-25(19-11-12-23-16-19)22(27)17-6-3-7-18(15-17)24-21(26)10-4-8-20-9-5-14-28-20;/h3,5-7,9,14-15,19,23H,2,4,8,10-13,16H2,1H3,(H,24,26);1H
InChIKeyCPAAVVFWXPZYJB-UHFFFAOYSA-N
XLogP4.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.02
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119531682
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 119530413
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride (CID 119532525) is N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride is CCCN(C(=O)c1cccc(NC(=O)CCCc2cccs2)c1)C1CCNC1.Cl.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
The InChIKey is CPAAVVFWXPZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S.ClH/c1-2-13-25(19-11-12-23-16-19)22(27)17-6-3-7-18(15-17)24-21(26)10-4-8-20-9-5-14-28-20;/h3,5-7,9,14-15,19,23H,2,4,8,10-13,16H2,1H3,(H,24,26);1H.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride?
N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride has a molecular weight of 436.02 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119532525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).