N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide

C22H29N3O4S — CID 46349120

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-17(15-19-7-6-14-29-19)23-22(26)18-8-9-20(24-10-2-3-11-24)21(16-18)30(27,28)25-12-4-5-13-25/h6-9,14,16-17H,2-5,10-13,15H2,1H3,(H,23,26)
InChIKeyDOZDSOKCSXHPIR-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.03
Rot. Bonds7

About N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide

N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 46349120) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID46349120
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(Cc1ccco1)NC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-17(15-19-7-6-14-29-19)23-22(26)18-8-9-20(24-10-2-3-11-24)21(16-18)30(27,28)25-12-4-5-13-25/h6-9,14,16-17H,2-5,10-13,15H2,1H3,(H,23,26)
InChIKeyDOZDSOKCSXHPIR-UHFFFAOYSA-N
XLogP3.03
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55614572
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24532563
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55879251
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24529128
N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55990967
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 46349120) is N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide is CC(Cc1ccco1)NC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DOZDSOKCSXHPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-17(15-19-7-6-14-29-19)23-22(26)18-8-9-20(24-10-2-3-11-24)21(16-18)30(27,28)25-12-4-5-13-25/h6-9,14,16-17H,2-5,10-13,15H2,1H3,(H,23,26).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 431.56 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46349120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).