N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

C20H25N5O4S — CID 55415318

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H25N5O4S/c1-13(2)18(19-22-15-5-3-4-6-16(15)23-19)24-20(26)17-11-14(12-21-17)30(27,28)25-7-9-29-10-8-25/h3-6,11-13,18,21H,7-10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyAZVOPVFUQPQYBP-UHFFFAOYSA-N
MW431.52 g/mol
LogP2.04
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (PubChem CID 55415318) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
PubChem CID55415318
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
SMILESCC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H25N5O4S/c1-13(2)18(19-22-15-5-3-4-6-16(15)23-19)24-20(26)17-11-14(12-21-17)30(27,28)25-7-9-29-10-8-25/h3-6,11-13,18,21H,7-10H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyAZVOPVFUQPQYBP-UHFFFAOYSA-N
XLogP2.04
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 55942718
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46513564
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55882295
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 51110547
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 41190663
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 39995974
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 25406790
4-morpholin-4-ylsulfonyl-N-(4-propan-2-yloxyphenyl)-1H-pyrrole-2-carboxamide
CID 55748899
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55344804
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
4-morpholin-4-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
CID 18104892

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide (CID 55415318) is N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is CC(C)C(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
The InChIKey is AZVOPVFUQPQYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-13(2)18(19-22-15-5-3-4-6-16(15)23-19)24-20(26)17-11-14(12-21-17)30(27,28)25-7-9-29-10-8-25/h3-6,11-13,18,21H,7-10H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55415318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).