4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide

C17H21N3O5S — CID 97018501

IUPAC4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@H]1CCCc2occc21)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C17H21N3O5S/c21-17(19-14-2-1-3-16-13(14)4-7-25-16)15-10-12(11-18-15)26(22,23)20-5-8-24-9-6-20/h4,7,10-11,14,18H,1-3,5-6,8-9H2,(H,19,21)/t14-/m0/s1
InChIKeyDQVMILUEDHNGPK-AWEZNQCLSA-N
MW379.44 g/mol
LogP1.44
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide

4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 97018501) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID97018501
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@H]1CCCc2occc21)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1
InChIInChI=1S/C17H21N3O5S/c21-17(19-14-2-1-3-16-13(14)4-7-25-16)15-10-12(11-18-15)26(22,23)20-5-8-24-9-6-20/h4,7,10-11,14,18H,1-3,5-6,8-9H2,(H,19,21)/t14-/m0/s1
InChIKeyDQVMILUEDHNGPK-AWEZNQCLSA-N
XLogP1.44
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18108637
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883
3-(3-oxopiperazin-1-yl)sulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]benzamide
CID 39999846
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34298858
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
6-[[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 100650137
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46513564
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
1-methyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrole-2-carboxamide
CID 95274864
(2R)-1-methylsulfonyl-N-[(4R)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]pyrrolidine-2-carboxamide
CID 97001011

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide (CID 97018501) is 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide is O=C(N[C@H]1CCCc2occc21)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is DQVMILUEDHNGPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O5S/c21-17(19-14-2-1-3-16-13(14)4-7-25-16)15-10-12(11-18-15)26(22,23)20-5-8-24-9-6-20/h4,7,10-11,14,18H,1-3,5-6,8-9H2,(H,19,21)/t14-/m0/s1.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide?
4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97018501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).