2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine

C19H24N4O2S — CID 97352592

IUPAC2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine
SMILESCn1c([C@@H](NS(=O)(=O)NC(C)(C)C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)22-26(24,25)21-17(14-10-6-5-7-11-14)18-20-15-12-8-9-13-16(15)23(18)4/h5-13,17,21-22H,1-4H3/t17-/m0/s1
InChIKeyXRECFIZYLWWAFY-KRWDZBQOSA-N
MW372.49 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine

2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine (PubChem CID 97352592) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine
PubChem CID97352592
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine
SMILESCn1c([C@@H](NS(=O)(=O)NC(C)(C)C)c2ccccc2)nc2ccccc21
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)22-26(24,25)21-17(14-10-6-5-7-11-14)18-20-15-12-8-9-13-16(15)23(18)4/h5-13,17,21-22H,1-4H3/t17-/m0/s1
InChIKeyXRECFIZYLWWAFY-KRWDZBQOSA-N
XLogP2.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine (CID 97352592) is 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine is Cn1c([C@@H](NS(=O)(=O)NC(C)(C)C)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine?
The InChIKey is XRECFIZYLWWAFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-19(2,3)22-26(24,25)21-17(14-10-6-5-7-11-14)18-20-15-12-8-9-13-16(15)23(18)4/h5-13,17,21-22H,1-4H3/t17-/m0/s1.
What are the key properties of 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine?
2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine has a molecular weight of 372.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]sulfamoyl]propan-2-amine is sourced from PubChem (CID 97352592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).