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

C18H24ClN3O3S2 — CID 119531682

IUPACN-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CCNC1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-2-10-21(16-8-9-19-13-16)18(22)14-5-3-6-15(12-14)20-26(23,24)17-7-4-11-25-17;/h3-7,11-12,16,19-20H,2,8-10,13H2,1H3;1H
InChIKeyDEMOYNSWGADDFL-UHFFFAOYSA-N
MW430.00 g/mol
LogP3.18
Rot. Bonds7

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

N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (PubChem CID 119531682) has the molecular formula C18H24ClN3O3S2 and a molecular weight of 430.00 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
PubChem CID119531682
Molecular FormulaC18H24ClN3O3S2
Molecular Weight430.00 g/mol
Exact Mass429.09
IUPAC NameN-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CCNC1.Cl
InChIInChI=1S/C18H23N3O3S2.ClH/c1-2-10-21(16-8-9-19-13-16)18(22)14-5-3-6-15(12-14)20-26(23,24)17-7-4-11-25-17;/h3-7,11-12,16,19-20H,2,8-10,13H2,1H3;1H
InChIKeyDEMOYNSWGADDFL-UHFFFAOYSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.00
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119532525
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-[propyl-[3-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetic acid
CID 119205119
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-propyl-4-(propylsulfonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530957
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-5-carboxamide
CID 119531080
3-piperidin-1-ylsulfonyl-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532378
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
N-(1-aminopropan-2-yl)-N-methyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119583489

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (CID 119531682) is N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is CCCN(C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C1CCNC1.Cl.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The InChIKey is DEMOYNSWGADDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2.ClH/c1-2-10-21(16-8-9-19-13-16)18(22)14-5-3-6-15(12-14)20-26(23,24)17-7-4-11-25-17;/h3-7,11-12,16,19-20H,2,8-10,13H2,1H3;1H.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride has a molecular weight of 430.00 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119531682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).