N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C20H23N5O5S — CID 55855284

IUPACN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C20H23N5O5S/c1-24-7-6-21-19(24)14-30-16-4-2-15(3-5-16)23-20(26)18-12-17(13-22-18)31(27,28)25-8-10-29-11-9-25/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,26)
InChIKeyBZPOCGZBSMEWHD-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.60
Rot. Bonds7

About N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 55855284) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID55855284
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC NameN-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCn1ccnc1COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1
InChIInChI=1S/C20H23N5O5S/c1-24-7-6-21-19(24)14-30-16-4-2-15(3-5-16)23-20(26)18-12-17(13-22-18)31(27,28)25-8-10-29-11-9-25/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,26)
InChIKeyBZPOCGZBSMEWHD-UHFFFAOYSA-N
XLogP1.60
TPSA118.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
N-(4-ethylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18106133
1-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55854247
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 34298858
N-(4-methoxyphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 22551854
N-(3-chloro-4-propan-2-yloxyphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46423561
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55869064
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 55413160
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892
4-(2-ethoxyethoxy)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 17112612
5-[(4-ethylphenoxy)methyl]-N-(4-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 19446653
N-cycloheptyl-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 18107883

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 55855284) is N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is Cn1ccnc1COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1.
What is the InChIKey of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is BZPOCGZBSMEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-24-7-6-21-19(24)14-30-16-4-2-15(3-5-16)23-20(26)18-12-17(13-22-18)31(27,28)25-8-10-29-11-9-25/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,26).
What are the key properties of N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55855284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).