[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone

C21H27N3O5S — CID 55415520

IUPAC[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C21H27N3O5S/c1-2-29-17-7-5-16(6-8-17)20-4-3-9-24(20)21(25)19-14-18(15-22-19)30(26,27)23-10-12-28-13-11-23/h5-8,14-15,20,22H,2-4,9-13H2,1H3
InChIKeyDXNXZTHGRWLBJJ-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.41
Rot. Bonds6

About [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone (PubChem CID 55415520) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone
PubChem CID55415520
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C21H27N3O5S/c1-2-29-17-7-5-16(6-8-17)20-4-3-9-24(20)21(25)19-14-18(15-22-19)30(26,27)23-10-12-28-13-11-23/h5-8,14-15,20,22H,2-4,9-13H2,1H3
InChIKeyDXNXZTHGRWLBJJ-UHFFFAOYSA-N
XLogP2.41
TPSA91.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86911368
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 45351553
2-(4-ethoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 86914008
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 32985933
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
CID 51270971
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 25491169
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883
N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637
2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 46637688
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-1-sulfonamide
CID 146122524

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone (CID 55415520) is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone is CCOc1ccc(C2CCCN2C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
The InChIKey is DXNXZTHGRWLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-2-29-17-7-5-16(6-8-17)20-4-3-9-24(20)21(25)19-14-18(15-22-19)30(26,27)23-10-12-28-13-11-23/h5-8,14-15,20,22H,2-4,9-13H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone?
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone has a molecular weight of 433.53 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 55415520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).