N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C18H27N3O4S — CID 2329278

IUPACN-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H27N3O4S/c22-18(19-7-4-8-20-11-13-25-14-12-20)16-5-3-6-17(15-16)26(23,24)21-9-1-2-10-21/h3,5-6,15H,1-2,4,7-14H2,(H,19,22)
InChIKeyIIEAJDPGAMIAKM-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.92
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2329278) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2329278
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H27N3O4S/c22-18(19-7-4-8-20-11-13-25-14-12-20)16-5-3-6-17(15-16)26(23,24)21-9-1-2-10-21/h3,5-6,15H,1-2,4,7-14H2,(H,19,22)
InChIKeyIIEAJDPGAMIAKM-UHFFFAOYSA-N
XLogP0.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742045
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
N-[3-(diethylamino)propyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329054

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2329278) is N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCCN1CCOCC1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is IIEAJDPGAMIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c22-18(19-7-4-8-20-11-13-25-14-12-20)16-5-3-6-17(15-16)26(23,24)21-9-1-2-10-21/h3,5-6,15H,1-2,4,7-14H2,(H,19,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2329278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).